psnGPCRdb

Ligands

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Code: 3-letter code from PDB.org.

Name: Ligand name.

Synonyms: Alternative name.

Identifier: Systematic name.

Formula: Formula.

Molecular Weight: Molecular Weight.

SMILES: SMILES.

PubChem: PubChem Id.

Formal Charge: Formal charge.

Total Atoms: Total number of atoms.

Total Chiral Atoms: Total number of chiral atoms.

Total Bonds: Total number of bonds.

Total Aromatic Bonds: Total number of aromatic bonds.

Networks: Number of networks in which the ligand is present.

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Show Code Name Synonyms Identifier Formula Molecular Weight SMILES PubChem Formal Charge Total Atoms Total Chiral Atoms Total Bonds Total Aromatic Bonds Networks
NAG N-Acetylglucosamine N-Acetylchitosamine C8 H15 N O6 221.208 24139 0 30 5 30 0 269
RET RETINAL C20 H28 O 284.436 638015 0 49 0 49 0 58
BMA beta-D-mannopyranose beta-D-mannose; D-mannose; mannose C6 H12 O6 180.156 439680 0 24 5 24 0 57
PLM Palmitic Acid Hexaectylic acid C16 H32 O2 256.424 985 0 50 0 49 0 67
MAN alpha-D-mannopyranose alpha-D-mannose; D-mannose; mannose C6 H12 O6 180.156 185698 0 24 5 24 0 41
ACM Acetamide Acetamide C2 H5 N O 59.067 178 0 9 0 8 0 1
CAU (S)-carazolol (S)-Carazolol C18 H22 N2 O2 298.379 13023332 0 44 1 46 15 13
P32 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile C16 H21 N3 O2 287.357 46937143 0 42 1 43 6 8
Y00 DOBUTAMINE C18 H23 N O3 301.38 667531 0 45 1 46 12 5
WHJ Carmoterol
  • Quinoterol
  • Carmoterol
 C21 H24 N2 O4 368.426 86306667 0 51 2 53 12 1
5FW ISOPRENALINE C11 H17 N O3 211.258 443372 0 32 1 32 6 14
68H Levosalbutamol (R)-salbutamol C13 H21 N O3 239.311 123600 0 38 1 38 6 4
I32 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile IODOCYANOPINDOLOL C16 H20 I N3 O2 413.253 52918356 0 42 1 43 10 1
ADN Adenosine 9-beta-D-Ribofuranosyl-9H-purin-6-amine C10 H13 N5 O4 267.241 60961 0 32 4 34 10 19
NEC N-Ethyl-5'-Carboxamido Adenosine N-Ethyl-5'-Carboxamido Adenosine C12 H16 N6 O4 308.293 448222 0 38 4 40 10 9
TIM Timolol Timololum C13 H24 N4 O3 S 316.42 33624 0 45 1 46 5 3
ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol C16 H15 N7 O2 337.336 176407 0 40 0 43 22 33
JRZ (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol C17 H27 N O2 277.402 5311179 0 47 2 48 6 2
JSZ ethyl 4-({(2S)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate C18 H25 N O5 335.395 913103 0 49 1 50 10 1
JTZ (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol C15 H23 N O2 249.349 204665 0 41 1 41 6 5
ITD (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate C21 H34 N4 S2 406.651 25147749 0 61 0 64 0 7
ALN 1-Naphthyl-L-alanine
  • (S)-2-Amino-3-(naphthalen-1-yl)propanoic acid
  • Naphthalen-2-yl-3-alanine
  • 1-Naphthyl-L-alanine
  • L-beta-(1-Naphthyl)alanine
 C13 H13 N O2 215.248 2724883 0 29 1 30 11 1
DPR D-Proline D-Proline C5 H9 N O2 115.13 6971012 0 17 1 17 0 1
CIR Citrulline N(delta)-Carbamylornithine C6 H13 N3 O3 175.186 9750 0 25 1 24 0 1
P0G 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one C21 H26 N2 O4 370.442 49837874 0 53 1 55 12 12
ETQ Eticlopride
  • Eticlopride hydrochloride
  • Eticlopridum
  • Eticloprida
  • Eticlopride
 C17 H25 Cl N2 O3 340.845 57267 0 48 1 49 6 1
ERC 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one C23 H28 N2 O5 S 444.544 49835963 0 59 1 61 12 1
UKA UK-432097 UK-432097 C40 H47 N11 O6 777.871 9833519 0 104 4 110 28 4
XAC N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide C21 H28 N6 O4 428.485 5697 0 59 0 61 12 1
CFF Caffeine Mateína C8 H10 N4 O2 194.191 2519 0 24 0 25 10 2
D7V Cidoxepin
  • Cidoxepinum
  • Cidoxepin hydrochloride
  • Cidoxepina
  • (Z)-Doxepin
  • Cidoxepin
 C19 H21 N O 279.376 667468 0 42 0 44 12 1
QNB (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate C21 H23 N O3 337.412 688566 0 48 1 51 12 2
T4G 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine C16 H15 N5 277.324 56844240 0 36 0 38 18 1
T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol C15 H11 Cl N4 O 298.727 135566609 0 32 0 34 18 4
ML5 {(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid C16 H27 N2 O4 P 342.37 51892645 0 50 1 50 6 2
VPX Vorapaxar Carbamic acid, [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2- pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester C29 H33 F N2 O4 492.582 10077130 0 69 7 73 12 1
NA SODIUM ION Na 22.99 1 1 0 0 0 80
XF5 4-(PIPERAZIN-1-YL)-1H-INDOLE C12 H15 N3 201.268 594590 0 30 0 32 10 1
3WC 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE C14 H17 N3 227.305 598754 0 34 0 36 11 1
G90 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile BUCINDOLOL C22 H25 N3 O2 363.453 12619631 0 52 1 54 16 1
CVD (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL CARVEDILOL C24 H26 N2 O4 406.474 185395 0 56 1 59 21 2
0HK Tiotropium Tiotropium C19 H22 N O4 S2 392.512 1 48 4 52 10 6
JDC (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide C28 H39 N3 O3 465.628 9956146 0 73 4 76 12 7
BF0 methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate beta-funaltrexamine, bound form C25 H32 N2 O6 456.531 137348997 0 65 5 70 6 1
0NN 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide C27 H35 N3 O2 433.586 10296561 0 67 1 71 12 1
EJ4 (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol Naltrindole C26 H26 N2 O3 414.496 5497186 0 57 4 64 16 2
2GM Dihydroergotamine Diidroergotamina C33 H37 N5 O5 583.677 10531 0 80 7 87 16 1
ERM Ergotamine (5'α)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione C33 H35 N5 O5 581.661 8223 0 78 6 85 16 6
BOG octyl beta-D-glucopyranoside Beta-Octylglucoside; octyl beta-D-glucoside; octyl D-glucoside; octyl glucoside C14 H28 O6 292.369 62852 0 48 5 48 0 8
1KS Taladegib Taladegib C26 H24 F4 N6 O 512.502 49848070 0 61 0 65 22 2
1Q5 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine C21 H30 N2 O 326.476 9862166 0 54 0 55 12 2
XQC 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol C18 H23 N O4 317.38 44328881 0 46 1 47 12 1
ALE Epinephrine Epinephrine acetate C9 H13 N O3 183.204 139148732 0 26 1 26 6 10
MRV Maraviroc
  • Maravirocum
  • Maraviroc
 C29 H41 F2 N5 O 513.666 0 78 3 82 11 1
IXO 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium Iperoxo C10 H17 N2 O2 197.254 10104167 1 31 0 31 0 21
2CU 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide LY2119620 positive allosteric modulator of M2/M4 receptor C19 H24 Cl N5 O3 S 437.944 57664406 0 53 0 56 10 10
SNT (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine SANT-1 C23 H27 N5 373.494 6878030 0 55 0 58 17 1
AZJ ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate C23 H26 N4 O5 S 470.541 23649325 0 59 0 61 12 1
CY8 Cyclopamine (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol C27 H41 N O2 411.62 442972 0 71 10 76 0 2
YCM Cysteine-S-acetamide CYSTEINE-S-ACETAMIDE C5 H10 N2 O3 S 178.209 36688842 0 21 1 20 0 22
2U8 Mavoglurant methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate C19 H23 N O3 313.391 9926832 0 46 3 48 6 1
FM9 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide C18 H18 F N5 O S 371.432 16660135 0 44 0 46 17 1
2YB Fasiglifam Fasiglifam C29 H32 O7 S 524.625 24857286 0 69 1 72 18 5
6AD 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) 2-methylthio-adenosine-5'-diphosphate C11 H17 N5 O10 P2 S 473.293 121990 0 46 4 48 10 5
6AT 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) 2-methylthio-adenosine-5'-triphosphate C11 H18 N5 O13 P3 S 553.273 5310983 0 51 4 53 10 1
A8T 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol C27 H29 N5 O 439.552 24905375 0 62 0 66 23 1
SG8 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide C28 H26 Cl F2 N3 O S 526.04 0 62 0 66 22 1
35V 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol C19 H25 N O5 S 379.471 76210628 0 51 1 52 12 1
DI7 2,6-dimethyl-L-tyrosine C11 H15 N O3 209.242 40580600 0 30 1 30 6 3
DI8 (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid C10 H11 N O2 177.2 2733226 0 24 1 25 6 2
SUV Suvorexant suvorexant C23 H23 Cl N6 O2 450.921 24965990 0 55 1 59 21 4
3C0 Methscopolamine (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane C18 H24 N O4 318.387 1 47 5 50 6 4
NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE C23 H29 N7 O6 499.52 3086599 0 65 4 68 16 3
BNG B-nonylglucoside Beta-NONYLGLUCOSIDE; nonyl beta-D-glucoside; nonyl D-glucoside; nonyl glucoside C15 H30 O6 306.395 155448 0 51 5 51 0 2
BUR 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea C23 H22 F3 N3 O3 445.434 11510579 0 54 0 56 18 1
2ID [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate C13 H18 I N5 O8 P2 561.163 44448831 0 47 4 50 10 1
PCA Pidolic acid (S)-(−)-2-pyrrolidone-5-carboxylic acid C5 H7 N O3 129.114 7405 0 16 1 16 0 29
ZD7 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one C26 H26 N6 O 438.524 4673492 0 59 0 63 23 1
ON7 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid ONO9780307 C30 H35 N O7 521.601 11785732 0 73 2 76 17 1
ON9 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid ONO-9910539 C32 H37 N O8 563.638 91799237 0 78 2 81 17 1
ON3 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid ONO-3080573 C31 H34 O7 518.597 91799238 0 72 2 76 18 1
4OT [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone C24 H21 F N4 O2 S 448.513 10204153 0 53 1 57 22 1
OLM Olmesartan
  • Olmesartan medoxomil
  • 4-(hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid
  • 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid
  • Olmesartan
 C24 H26 N6 O3 446.502 158781 0 59 0 62 22 2
XTK 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile C17 H23 N3 O2 301.383 91885640 0 45 1 46 10 1
VF1 (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol BU72 C28 H32 N2 O2 428.566 0 64 7 70 12 1
51D 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile C14 H7 Cl F N5 299.69 86280685 0 28 0 30 17 1
51E 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile C16 H8 Cl F N4 310.713 86763358 0 30 0 32 18 1
DGV 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide C26 H33 Cl2 N3 O 474.466 25001412 0 65 1 68 12 1
DGW (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol C24 H29 Cl2 N O 418.399 10047612 0 57 2 60 12 1
5MV MK-0893 MK-0893 C32 H27 Cl2 N3 O4 588.48 11570626 0 68 1 72 28 1
6DY 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine C21 H24 N8 O 404.468 86302363 0 54 0 58 21 1
6DZ 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine C15 H21 N9 O 343.387 121225598 0 46 0 49 15 1
6DX 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine C21 H25 N9 O 419.483 44394688 0 56 0 60 21 1
6DV N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine C20 H21 F2 N9 O 441.437 44394716 0 53 0 57 21 1
6XQ (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid C38 H45 N3 O5 623.781 133053953 0 91 1 96 22 1
CLR Cholesterol
  • Cholesterin
  • Cholesterol
  • Cholest-5-en-3beta-ol
  • (3β,14β,17α)-cholest-5-en-3-ol
 C27 H46 O 386.654 5997 0 74 8 77 0 22
VIS Vismodegib
  • Vismodegibum
  • 2-chloro-N-(4-chloro-3-pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
  • Vismodégib
  • Vismodegib
  • Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-
 C19 H14 Cl2 N2 O3 S 421.297 24776445 0 41 0 43 18 1
79K Vercirnon Vercirnon C22 H21 Cl N2 O4 S 444.931 10343454 0 51 0 53 18 1
TEP Theophylline Theophylline sodium glycinate C7 H8 N4 O2 180.164 2153 0 21 0 22 10 3
8JN 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione C21 H28 N4 O3 384.472 0 56 2 60 5 1
8K8 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione C21 H30 N4 O3 386.488 0 58 2 62 5 1
8TZ (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol C13 H15 F N2 O 234.269 126961334 0 32 1 33 11 1
8UN 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide C30 H27 Br N4 O3 571.464 126961335 0 65 1 70 22 1
9DK 3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid C10 H15 N3 O3 225.244 82821116 0 31 0 31 5 1
9DQ (2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid C4 H7 N5 O2 157.131 3246533 0 18 1 18 5 1
9DT (2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid C10 H12 F N O2 197.206 14605998 0 26 1 26 6 1
9DW (2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid C18 H21 N O3 299.364 67243038 0 43 1 44 12 1
9DZ (2~{S})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide C13 H20 N2 O 220.311 137348806 0 36 1 36 6 1
9P2 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine C36 H35 N3 O4 573.681 10210160 0 78 0 84 29 3
9XT Vipadenant Vipadenant C16 H15 N7 O 321.337 21874557 0 39 0 42 21 1
9XW Tozadenant Tozadenant C19 H26 N4 O4 S 406.499 11618368 0 54 0 57 10 1
9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide C16 H17 F2 N3 O2 S 353.387 16122818 0 41 0 42 11 2
73R (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one C26 H36 F3 N5 O 491.592 68764898 0 71 4 74 11 1
VT5 (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one C18 H19 Cl F N O3 351.8 12093170 0 43 1 45 6 1
7AB (2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde C21 H28 O 296.446 6438558 0 50 0 51 0 1
ZDG 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate C26 H25 Cl2 N5 O4 542.414 46912833 0 62 0 65 17 1
7LD Lysergic acid diethylamide Lysergsäurediäthylamid C20 H25 N3 O 323.432 5761 0 49 2 52 10 19
MK6 MK-8666 MK-8666 C29 H31 N O6 S 521.625 73051869 0 68 3 72 18 2
7OS (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid C30 H35 F4 N O4 549.597 127053597 0 74 4 78 12 1
7DY Taranabant Taranabant C27 H25 Cl F3 N3 O2 515.955 11226090 0 61 2 63 18 2
DU1 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride C24 H30 F N5 O5 S 519.589 10839674 0 66 0 69 11 1
8D1 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide C18 H20 N6 O 336.391 124081196 0 45 0 47 17 1
8ES N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide C36 H29 N7 O2 S 623.726 15780052 0 75 0 81 34 2
8EM N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide C37 H31 N7 O3 621.687 126456406 0 78 0 84 34 1
89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Methiothepin; Metitepine C20 H24 N2 S2 356.548 7059581 0 48 1 51 12 3
836 N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide C26 H24 F3 N7 O3 539.509 126970683 0 63 0 67 22 2
HRG L-homoarginine Homo-L-arginine C7 H16 N4 O2 188.228 9085 0 29 1 28 0 4
ALC 3-Cyclohexyl-L-alanine
  • 3-Cyclohexyl-L-alanine
  • beta-Cyclohexyl-alanine
  • beta-Cyclohexyl-L-alanine
  • β-Cyclohexyl-alanine
 C9 H17 N O2 171.237 712421 0 29 1 29 0 7
OIC L-Octahydroindole-2-carboxylic acid
  • (2S,3aS,7aS)-2-Carboxyoctahydroindole
  • (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid
  • L-Octahydroindole-2-carboxylic acid
  • Perindopril impurity A
 C9 H15 N O2 169.221 7408451 0 27 3 28 0 1
NLE Norleucine
  • L-NORLEUCINE
  • Norleucine
 C6 H13 N O2 131.173 6991974 0 22 1 21 0 26
200 4-CHLORO-L-PHENYLALANINE C9 H10 Cl N O2 199.634 6931462 0 23 1 23 6 1
CSD 3-sulfino-L-alanine S-Cysteinesulfinic acid C3 H7 N O4 S 153.157 28167170 0 16 1 15 0 2
97Y N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine C26 H28 F3 N5 O3 515.527 68178630 0 65 1 68 17 5
97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide C29 H31 N7 O4 S 573.666 23549991 0 72 0 76 23 3
TPO PHOSPHOTHREONINE PHOSPHONOTHREONINE C4 H10 N O6 P 199.099 139055008 0 22 2 21 0 35
SEP Dexfosfoserine PHOSPHONOSERINE C3 H8 N O6 P 185.072 57689797 0 19 1 18 0 39
AQD Nemonapride N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide C21 H26 Cl N3 O2 387.903 156333 0 53 2 55 12 2
7MA N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide C23 H26 N4 O4 S 454.542 9981404 0 58 0 60 18 4
7Y9 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide C30 H30 N2 O3 466.571 9956189 0 65 0 68 24 1
8VS 4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide C34 H39 Br N4 O4 647.602 129318963 0 82 3 85 18 1
K87 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide C36 H38 N6 O6 S 682.789 9810112 0 87 0 91 30 1
SAR Sarcosine Sarcosine C3 H7 N O2 89.093 1088 0 13 0 12 0 8
K86 Bosentan bosentan anhydrous C27 H29 N5 O6 S 551.614 104865 0 68 0 71 24 1
E3R 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile C25 H37 N O3 399.566 145915889 0 66 3 68 6 4
8D3 (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol C25 H37 Br O2 449.464 53318931 0 65 2 67 6 1
OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate 1-Oleoyl-R-glycerol C21 H40 O4 356.54 11451146 0 65 1 64 0 1
8VL 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid C24 H21 Br N2 O3 465.339 135121352 0 51 1 53 17 1
7UR 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid C24 H21 F N2 O3 404.434 92978378 0 51 1 53 17 1
9AF dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate C33 H42 N4 O6 590.71 9960164 0 85 0 88 12 1
9AO N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide C33 H41 N7 O5 615.723 127041619 0 86 1 88 18 1
9EC (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium C20 H22 F N2 O3 S 389.464 1 49 5 53 11 1
82F N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide C27 H38 N6 O2 478.63 6604853 0 73 1 76 12 1
9ER Foropafant Foropafant C28 H40 N4 S 464.709 119368 0 73 0 75 17 1
9EU 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide C28 H22 F N5 O2 479.505 154087 0 58 0 62 26 1
9JU N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide C26 H35 N3 O2 421.575 0 66 0 70 11 1
8NU Risperidone
  • Rispéridone
  • Risperidona
  • Risperidone tartrate
  • Risperidonum
  • Risperidone
 C23 H27 F N4 O2 410.484 5073 0 57 0 61 10 2
ZOT Zotepine
  • Zotepine
  • Zotepina
 C18 H18 Cl N O S 331.86 5736 0 40 0 42 12 1
P2E Dinoprostone PGE2 C20 H32 O5 352.465 5280360 0 57 4 57 0 14
A4R N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide C26 H39 N5 O S 469.686 0 72 4 76 10 1
A4X 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide C27 H39 F2 N5 O S 519.693 0 75 4 79 10 1
CVV N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide C27 H27 I N2 O3 554.419 131955138 0 60 5 66 12 1
E2J Ritanserin Ritanserin C27 H25 F2 N3 O S 477.569 5074 0 59 0 63 12 1
ORN Ornithine (S)-2,5-Diaminopentanoate C5 H12 N2 O2 132.161 6262 0 21 1 20 0 2
ZAL 3-cyclohexyl-D-alanine C9 H17 N O2 171.237 736026 0 29 1 29 0 10
EFD Avacopan (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzene-1-carbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide C33 H35 F4 N3 O2 581.644 49841217 0 77 2 81 18 1
FSY Fevipiprant (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid C19 H17 F3 N2 O4 S 426.409 23582412 0 46 0 48 16 1
FT4 [(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid CAY10471 C21 H21 F N2 O4 S 416.466 25817650 0 50 1 53 16 1
DAL D-Alanine D-Alanine C3 H7 N O2 89.093 71080 0 13 1 12 0 53
MEA N-METHYLPHENYLALANINE C10 H13 N O2 179.216 6951135 0 26 1 26 6 27
ETA Ethanolamine Ethanolamine C2 H7 N O 61.083 700 0 11 0 10 0 18
H8G Lisuride Lisurida C20 H26 N4 O 338.447 28864 0 51 2 54 10 6
H8D Methylergometrine Metilergometrina C20 H25 N3 O2 339.431 8226 0 50 3 53 10 3
H8J (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide methysergide C21 H27 N3 O2 353.458 9681 0 53 3 56 10 1
H8M (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline LY266097 C21 H23 Cl N2 O2 370.873 92460087 0 49 1 52 16 1
L76 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine C26 H28 F7 N5 O2 575.522 9809077 0 68 3 71 17 1
D7W Fenobam
  • Fenobam anhydrous
  • Fenobam monohydrate
  • Fenobamum
  • Fenobam
  • Fenobam hydrochloride
 C11 H11 Cl N4 O2 266.684 135659063 0 29 0 30 6 1
D8B 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine C15 H13 N O 223.27 5311462 0 30 0 31 12 1
AC5 Cycloleucine 1-aminocyclopentane-1-carboxylic acid C6 H11 N O2 129.157 6918961 0 20 0 20 0 1
AIB 2-aminoisobutyric acid 2-aminoisobutyric acid C4 H9 N O2 103.12 5245672 0 16 0 15 0 39
FUC alpha-L-fucose alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose C6 H12 O5 164.156 439554 0 23 5 23 0 2
DOK (2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one C22 H24 Cl N O3 385.884 132473033 0 51 1 54 12 1
DO5 (2~{R},3~{R})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one C21 H22 Cl N O4 387.857 132473034 0 49 2 52 12 1
DNZ (2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one C21 H23 Cl N2 O3 386.872 132473035 0 50 2 53 12 1
DNK (2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one C22 H25 N O3 351.439 132473036 0 51 1 54 12 1
DN5 (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one C22 H23 Cl2 N O3 420.329 132473037 0 51 1 54 12 1
DLH 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone C19 H18 Cl N O3 343.804 132473038 0 42 0 45 12 1
DLB 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid C25 H28 Cl N O5 457.947 132473039 0 60 1 63 12 1
DL2 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one C18 H17 Cl N2 O4 360.792 137349183 0 42 0 45 6 1
EP5 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium C23 H26 N5 O2 404.485 137349273 1 56 0 59 16 2
F7N [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium C24 H35 F3 N3 O3 470.548 53316397 1 68 4 71 6 2
F9Q Imaradenant Imaradenant C15 H11 Cl F N5 315.733 86676119 0 33 0 35 18 1
FVK ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide C16 H25 N3 O5 339.387 12681891 0 49 1 50 6 1
GBK (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine C19 H24 N2 O 296.407 5311057 0 46 2 48 12 1
GBQ Aprepitant
  • Aprépitant
  • Aprepitantum
  • Aprepitant
 C23 H21 F7 N4 O3 534.427 135413536 0 58 3 61 12 3
GAW Netupitant
  • 2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]propanamide
  • Netupitant
 C30 H32 F6 N4 O 578.592 6451149 0 73 0 76 18 1
H98 Arformoterol
  • (-)-formoterol
  • (R,R)-formoterol
  • Arformoterol tartrate
  • Arformoterol
 C19 H24 N2 O4 344.405 3083544 0 49 2 50 12 5
SIN Succinic acid Acidum succinicum C4 H6 O4 118.088 1110 0 14 0 13 0 7
A8X Ramatroban Ramatroban C21 H21 F N2 O4 S 416.466 123879 0 50 1 53 16 1
A90 Daltroban Daltroban C16 H16 Cl N O4 S 353.821 54343 0 39 0 40 12 1
L74 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine C18 H19 Cl N4 326.823 3853 0 42 0 45 16 1
D2U (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid C36 H35 N3 O4 573.681 5311192 0 78 2 82 28 1
CZX Dexmedetomidine dexemedetomidine C13 H16 N2 200.28 5311068 0 31 1 32 11 8
8QX 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one C23 H26 Br F N4 O2 489.381 57400002 0 57 1 60 12 1
8D0 (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol C26 H39 N O3 S 445.658 102336704 0 70 3 72 6 3
9GF 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol C24 H40 O3 376.573 104895 0 67 3 68 6 7
9GL 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide C24 H28 Cl N3 O 409.952 44828492 0 57 0 60 16 1
E33 (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine C19 H28 N2 O3 S 364.502 57213234 0 53 3 56 6 2
E3F (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine C19 H28 N2 O3 S 364.502 9908992 0 53 3 56 6 1
E39 (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole C14 H16 F N3 245.295 145704643 0 34 1 36 11 1
EBX 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide C22 H26 N4 O5 426.466 153466996 0 57 1 59 11 1
EN6 N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide C24 H22 F3 N3 O3 S 489.51 69921479 0 56 0 59 21 4
GMJ Haloperidol Haloperidol lactate C21 H23 Cl F N O2 375.864 3559 0 49 0 51 12 1
QXV D-methioninamide C5 H12 N2 O S 148.227 11571827 0 21 1 20 0 5
J9P (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid C21 H36 O5 368.508 9820635 0 62 4 62 0 1
JEV Ramelteon Ramelteon C16 H21 N O2 259.343 208902 0 40 1 42 6 8
JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide 2-phenylmelatonin C19 H20 N2 O2 308.374 4018512 0 43 0 45 16 5
ML2 N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide C13 H15 I N2 O2 358.175 115348 0 33 0 34 10 3
AWY Agomelatine
  • Agomelatina
  • Agomelatine
 C15 H17 N O2 243.301 82148 0 35 0 36 11 1
TYS O-SULFO-L-TYROSINE C9 H11 N O6 S 261.252 514186 0 28 1 28 6 22
K5Y salmeterol 2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol C25 H37 N O4 415.566 6604001 0 67 1 68 12 1
KBY N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine C34 H43 N3 O7 S2 669.851 138454256 0 89 1 91 18 1
KCA methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate C22 H24 F N3 O3 397.443 119025665 0 53 1 55 16 5
QUS Quisqualic acid QUISQUALATE C5 H7 N3 O5 189.126 6971145 0 20 1 20 5 13
LKD 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide C29 H28 Cl F2 N3 O2 S 556.066 0 66 0 70 22 1
M3J 6-bromo-N~2~-phenylquinazoline-2,4-diamine C14 H11 Br N4 315.168 145998261 0 30 0 32 17 1
N2V N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine C50 H47 Cl2 N3 O6 856.831 58327143 0 108 4 115 36 2
CO1 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL 24,25(S)-EPOXYCHOLESTEROL C27 H44 O2 400.637 3247059 0 73 9 77 0 4
ODM (3R)-3,7-dimethyloct-6-en-1-ol citronellol C10 H20 O 156.265 101977 0 31 1 30 0 2
64Z Geraniol (E)-3,7-Dimethyl-2,6-octadien-1-ol C10 H18 O 154.249 637566 0 29 0 28 0 2
NZZ (2Z)-3,7-dimethylocta-2,6-dien-1-ol nerol C10 H18 O 154.249 643820 0 29 0 28 0 2
SNP Dexpropranolol R (+)-Propanolol C16 H21 N O2 259.343 91536 0 40 1 41 11 1
WI5 WIN 55212-2
  • WIN 55212-2
  • (2,3-Dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl)methanone monomethanesulfonate
  • WIN 55212-2 mesylate
 C27 H26 N2 O3 426.507 5311501 0 58 1 63 21 2
DAR D-arginine (2R)-2-amino-5-guanidinopentanoic acid C6 H15 N4 O2 175.209 17753939 1 27 1 26 0 10
OXJ 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine C10 H9 F6 N 257.176 10956204 0 26 0 26 6 1
OWY 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide C31 H39 N3 O2 485.66 58619550 0 75 3 78 18 1
JLW 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide C22 H29 N5 O5 S 475.561 136165388 0 62 1 64 11 1
KAZ 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid C27 H29 N3 O3 443.537 138811017 0 62 0 65 18 1
KNT Pranlukast
  • Pranlukast
  • Pranlukast hydrate
 C27 H23 N5 O4 481.503 4887 0 59 0 63 23 1
ZLK Zafirlukast
  • cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate
  • 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide
  • Zafirlukast
 C31 H33 N3 O6 S 575.675 5717 0 74 0 78 22 1
KNW (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ONO-2570366 C30 H30 Cl F N2 O7 585.02 145704683 0 71 1 74 18 2
KNZ (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ONO-2080365 C30 H29 F3 N2 O8 602.555 145704684 0 72 1 75 18 1
KO5 (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ONO-2770372 C31 H33 F N2 O7 564.601 145704685 0 74 1 77 18 1
NRE [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone C20 H23 Br F N3 O2 436.318 44463491 0 50 2 52 12 1
NRK Lemborexant Lemborexant C22 H20 F2 N4 O2 410.417 56944144 0 50 2 53 18 2
NS2 Daridorexant
  • Daridorexant hydrochloride
  • Nemorexant
  • ACT-541468
  • Daridorexant
 C23 H23 Cl N6 O2 450.921 91801202 0 55 1 59 21 1
NRZ (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide C20 H24 N2 O4 S 388.481 40924317 0 51 1 53 12 1
NT5 Filorexant Filorexant C24 H25 F N4 O2 420.479 25128145 0 56 2 59 18 1
NU2 Retosiban Retosiban C27 H34 N4 O5 494.583 11340891 0 70 4 74 11 1
NU8 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one C20 H15 F3 N4 O5 S 480.417 72707143 0 48 0 51 18 1
NV8 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole C21 H23 N3 O3 S 397.491 16046844 0 51 0 55 16 1
NVH 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one C19 H13 F3 N4 O5 S2 498.456 145714283 0 46 0 49 18 1
NVK 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea C17 H13 N5 O2 319.317 6604926 0 37 0 40 21 1
NVN 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea C19 H18 F2 N4 O 356.369 4331799 0 44 0 46 17 1
QD7 (R)-(3-aminopropyl)methylphosphinic acid C4 H12 N O2 P 137.117 28559746 0 20 0 19 0 2
QDA N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine C15 H23 N5 O2 S 337.44 6604928 0 46 0 48 6 1
JHC [(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone C26 H29 Cl N6 O2 493 146675152 0 64 2 68 21 1
QW7 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole C27 H27 Cl2 N3 O 480.429 146155955 0 60 2 64 22 2
08Y Bromocriptine 2-Bromo-alpha-ergocryptine C32 H40 Br N5 O5 654.594 31101 0 83 6 89 10 4
4J2 (2R)-2-amino-3-(naphthalen-2-yl)propanoic acid C13 H13 N O2 215.248 2733661 0 29 1 30 11 10
CA CALCIUM ION Ca 40.078 2 1 0 0 0 53
SGG [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid C18 H22 Cl2 N O3 P 402.252 5311042 0 47 2 48 12 2
U0G N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine
  • N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine
  • NBOH-2C-CN
  • 25CN-NBOH
 C18 H20 N2 O3 312.363 90489020 0 43 0 44 12 2
U3G (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate C43 H76 N O8 P 766.039 52924645 0 129 1 128 0 1
U3D [(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate [(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-icos-11-enoate C46 H88 N O8 P 814.167 52923113 0 144 1 143 0 1
OIN Atropine Atropin C17 H23 N O3 289.369 0 44 3 46 6 1
UK1 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one C47 H49 F2 N11 O5 885.959 154584718 0 114 2 123 31 2
UK4 PF-06882961
  • PF-06882961
  • danuglipron
 C31 H30 F N5 O4 555.599 134611040 0 71 1 76 22 6
V0S 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide C28 H28 Cl N3 O S 490.059 0 62 0 66 22 3
V6G Orforglipron
  • 1,2,4-Oxadiazol-5(2H)-one, 3-[(1S,2S)-1-[2-[[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-[(4S)-tetrahydro-2,2-dim
  • Orforglipron
  • 3-[(1S,2S)-1-({2-(4-fluoro-3,5-dimethylphenyl)-3-({3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}carbonyl)-5-[(4S)-2,2-dimethyloxan-4-yl]-1H-indol-1-yl}-2-methylcyc
 C48 H48 F2 N10 O5 882.956 137319706 0 113 4 123 31 4
Q4T 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid C26 H22 Cl F3 N2 O4 518.912 154585554 0 58 1 61 18 1
Q6N 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid C39 H51 N5 O6 685.852 0 101 0 106 17 1
Q6Q 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid C32 H31 Cl N4 O5 587.065 0 73 0 79 22 3
SR9 (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid C24 H23 N3 O5 S 465.522 155490996 0 56 1 59 21 1
SR5 (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid C27 H27 Cl N4 O5 522.98 44157038 0 64 1 67 22 1
QGE [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate C18 H17 N O4 S 343.397 740769 0 41 0 43 11 1
QGW [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate C19 H19 N O4 S 357.423 984073 0 44 0 46 11 1
QJT 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one C21 H32 N2 O 328.492 10236758 0 56 0 58 6 1
QK8 ethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate C20 H35 N3 O3 365.51 71528459 0 61 1 63 0 1
QK2 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one C18 H24 F N3 O2 333.4 16038386 0 48 0 51 6 1
RVZ 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile C17 H12 N6 S 332.382 11174953 0 36 0 38 17 1
DPN D-Phenylalanine D-Phenylalanine C9 H11 N O2 165.189 71567 0 23 1 23 6 34
CY3 Cysteinamide
  • Cysteinamide
  • 2-amino-3-mercapto-propionamide
  • L-Cysteinamide
 C3 H8 N2 O S 120.173 6540253 0 15 1 14 0 2
T0B [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone C23 H27 N5 O4 437.492 132266 0 59 2 63 16 1
F5O Elagolix
  • Elagolix
  • Elagolix sodium
 C32 H30 F5 N3 O5 631.59 11250647 0 75 1 78 18 1
E5E Noradrenaline C8 H12 N O3 170.186 6921840 1 24 1 24 6 6
FFR 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid C30 H27 F N6 O4 554.572 149050799 0 68 1 73 22 2
S1P (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate sphingosine 1-phosphate C18 H38 N O5 P 379.472 5283560 0 63 2 62 0 13
2C0 Arbaclofen (3R)-4-amino-3-(4-chlorophenyl)butanoic acid C10 H12 Cl N O2 213.661 6918881 0 26 1 26 6 3
FN0 (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one C17 H21 F3 O3 330.342 7023848 0 44 1 45 6 4
2BV (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid CGP 54626 C18 H28 Cl2 N O3 P 408.3 197584 0 53 2 54 6 3
FWX 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide C22 H29 N5 O2 395.498 71541719 0 58 0 60 12 4
FX0 (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid C27 H46 O5 450.651 45483949 0 78 13 81 0 2
G3C (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol C16 H16 Cl N O3 305.756 12668023 0 37 1 39 12 6
G3O (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol C20 H27 N O3 329.433 0 51 2 55 6 2
G3U Razpipadon Razpipadon C19 H17 F2 N3 O4 389.353 86764103 0 45 0 47 12 2
LDP Dopamine Oxytyramine C8 H11 N O2 153.178 681 0 22 0 22 6 20
G4C Mevidalen
  • Ethanone, 2-(2,6-dichlorophenyl)-1-((1s,3r)-3,4-dihydro-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-2(1h)-isoquinolinyl)-
  • Mevidalen
  • 2-(2,6-dichlorophenyl)-1-((1s,3r)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydroisoquinolin-2(1h)-yl)ethanone
 C24 H29 Cl2 N O3 450.398 86290953 0 59 2 61 12 8
G6L Pramipexole (-)-Pramipexole C10 H17 N3 S 211.327 119570 0 31 1 32 5 2
G6O (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol C14 H19 N O3 249.306 5311346 0 37 2 39 6 2
GBU (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol C18 H20 Cl N O2 317.81 6604003 0 42 1 44 12 2
GNO Taprenepag Taprenepag C24 H22 N4 O5 S 478.52 18376177 0 56 0 59 23 2
GM9 Evatanepag
  • Evatanepag Sodium
  • Evatanepag
 C25 H28 N2 O5 S 468.565 9890801 0 61 0 63 18 2
GXR (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22 H29 Cl O5 408.916 20469 0 57 8 60 0 2
HCY Hydrocortisone 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione C21 H30 O5 362.46 5754 0 56 7 59 0 2
YP1 NPS-2143 NPS-2143 C24 H25 Cl N2 O2 408.921 6918446 0 54 1 56 17 4
H43 Evocalcet Evocalcet C24 H26 N2 O2 374.475 71242808 0 54 2 57 17 2
H46 ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide C34 H36 F N5 O2 565.68 25151875 0 78 1 82 24 1
HSM Histamine beta-aminoethylglyoxaline C5 H9 N3 111.145 774 0 17 0 17 5 37
SIP Spiperone Spiperone C23 H26 F N3 O2 395.47 5265 0 55 0 58 12 1
H6U Mirabegron Mirabegron C21 H24 N4 O2 S 396.506 9865528 0 52 1 54 17 2
HNO N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine C12 H13 Cl2 N3 270.158 156022738 0 30 0 31 11 8
J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate C39 H68 O16 P2 854.895 0 125 5 125 0 32
SRO Serotonin Serotonin C10 H12 N2 O 176.215 5202 0 25 0 26 10 18
9SC Aripiprazole Aripiprazole C23 H27 Cl2 N3 O2 448.385 60795 0 57 0 60 12 3
HVU 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol C14 H18 N2 O 230.306 2438 0 35 0 37 10 2
TCR 13
PO4 30
40F 3
HZR JNJ-40411813 JNJ-40411813 C20 H25 Cl N2 O 344.878 25195461 0 49 0 51 6 6
J59 Brimonidine Brimonidina C11 H10 Br N5 292.135 2435 0 27 0 29 11 2
J5C Oxymetazoline Oxymetozoline C16 H24 N2 O 260.375 4636 0 43 0 44 6 4
J5F (1R,2R)-N-[(2S,3S)-2-azanyl-3-methyl-pentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide C30 H37 N3 O 455.634 58466521 0 71 4 74 18 2
J89 (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol C19 H34 N O5 P 387.451 11452022 0 60 1 60 6 6
J8C Siponimod
  • Siponimod fumarate
  • Siponimod
 C29 H35 F3 N2 O3 516.595 72959169 0 72 0 75 12 8
J9R 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide C20 H20 F3 N5 O2 419.4 117641885 0 50 1 53 16 2
J9U (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide C21 H21 F2 N5 O 397.421 155925951 0 50 1 53 17 1
FME N-Formylmethionine
  • L-N-Formylmethionine
  • N-formyl-L-methionine
  • Formyl-methionine
  • N-Formylmethionine
  • (2S)-2-(formylamino)-4-(methylthio)butanoic acid
 C6 H11 N O3 S 177.221 439750 0 22 1 21 0 18
JER Cenerimod Cenerimod C25 H31 N3 O5 453.531 49871973 0 64 1 67 17 2
JEU Ozanimod
  • Ozanimod
  • Ozanimodum
  • Ozanimod hydrochloride
 C23 H24 N4 O3 404.462 52938427 0 54 1 57 17 2
JF9 N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide C19 H28 N2 O2 316.438 17253208 0 51 0 54 5 2
JEX 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole C20 H10 F6 N2 O S 440.362 4077460 0 40 0 43 22 2
05X Lasmiditan
  • Lasmiditan succinate
  • Lasmiditan
 C19 H18 F3 N3 O2 377.36 11610526 0 45 0 47 12 2
MG MAGNESIUM ION Mg 24.305 2 1 0 0 0 18
GDP Guanosine-5'-Diphosphate Guanosine-5'-Diphosphate C10 H15 N5 O11 P2 443.201 135398619 0 43 4 45 5 16
GTP Guanosine-5'-Triphosphate Guanosine-5'-Triphosphate C10 H16 N5 O14 P3 523.18 5280317 0 48 4 50 5 89
1I8 (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide C33 H41 Cl N6 O2 589.171 9938402 0 83 2 88 17 2
1IB PF-03654746 PF-03654746 C18 H24 F2 N2 O 322.393 0 47 0 49 6 1
1KQ PF-5190457 PF-5190457 C29 H32 N6 O S 512.669 58438464 0 69 1 75 21 1
1OE Lintitript Lintitript C20 H14 Cl N3 O3 S 411.861 122077 0 42 0 45 21 1
NFA Phenylalanylamide
  • Phenylalanylamide
  • L-phenylalanine amide
  • (S)-2-amino-3-phenylpropanamide
  • Phenylalanine amide
  • Phenylalaninamide
 C9 H12 N2 O 164.204 445694 0 24 1 24 6 6
SMF 4-SULFOMETHYL-L-PHENYLALANINE C10 H13 N O5 S 259.279 11010698 0 30 1 30 6 1
OEM N-methyl-D-aspartic acid C5 H9 N O4 147.129 22880 0 19 1 18 0 1
NH2 AMINO GROUP H2 N 16.023 123329 0 3 0 2 0 134
1OZ Devazepide Devazepide C25 H20 N4 O2 408.452 443375 0 51 1 55 22 1
OCA Caprylic acid n-caprylic acid C8 H16 O2 144.211 379 0 26 0 25 0 4
DHI D-HISTIDINE C6 H10 N3 O2 156.162 5460937 1 21 1 21 5 2
DTR D-Tryptophan
  • (R)-tryptophan
  • DTR
  • D-Tryptophan
  • (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
 C11 H12 N2 O2 204.225 9060 0 27 1 28 10 30
DLY D-Lysine
  • D-2,6-Diaminohexanoic acid
  • D-Lysin
  • (R)-2,6-diaminohexanoic acid
  • D-Lysine
 C6 H14 N2 O2 146.188 57449 0 24 1 23 0 2
Z99 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid C20 H19 N O5 353.369 9819927 0 45 3 48 12 14
7IC 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole C21 H18 N2 O2 S 362.445 129407013 0 44 1 47 21 3
CMS CARBAMOYL SARCOSINE C4 H8 N2 O3 132.118 439375 0 17 0 16 0 4
LMS [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate C10 H14 N6 O6 S 346.32 97576 0 37 4 39 10 4
TMR 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose 2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBOHEXOPYRANOSIDE; 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexose; 2,6-dideoxy-4-S-methyl-4-thio-D-ribo-hexose; 2,6-dideoxy-4-S-methyl-4-thio-ribo-hexose C7 H14 O3 S 178.249 447846 0 25 4 25 0 4
GLM 4
55Z 5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide C24 H30 N6 O3 S2 514.663 9914457 0 65 0 68 16 2
GGL Glutamic acid Glutamic acid C5 H9 N O4 147.129 33032 0 19 1 18 0 12
VFD Olodanrigan EMA401; (3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid C32 H29 N O5 507.576 9937291 0 67 1 71 24 1
VFP 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione C20 H17 N3 O4 363.367 75202022 0 44 0 47 16 2
SK0 (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol C16 H16 Cl N O2 289.757 12668019 0 36 1 38 12 4
SK9 (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol C18 H20 Cl N O2 317.81 9995976 0 42 1 44 12 2
OR9 Apomorphine Apomorphin C17 H17 N O2 267.322 6005 0 37 1 40 12 2
VRJ N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide C26 H27 F N2 O5 S 498.566 129208412 0 62 2 65 18 1
WF1 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid C12 H24 N2 O7 308.328 51340918 0 45 0 44 0 2
_L_ 303
XGD 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide C33 H32 N6 O5 S 624.709 155491009 0 77 0 81 29 2
XTD {2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone C19 H10 Cl F6 N O S 449.797 25263603 0 39 0 41 17 2
YP4 Cinacalcet
  • CNC
  • Cinacalcet hydrochloride
  • (R)-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine
  • N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine
  • Cinacalcet
 C22 H22 F3 N 357.412 156419 0 48 1 50 17 9
ACE ACETYL GROUP C2 H4 O 44.053 177 0 7 0 6 0 22
DCY D-Cysteine D-Cysteine hydrochloride monohydrate C3 H7 N O2 S 121.158 6419721 0 14 1 13 0 4
YSS 15R-methyl-prostaglandin D2 (5Z,13E,15R,16E)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13,16-trien-1-oic acid C21 H34 O5 366.492 5283097 0 60 4 60 0 1
ZQY 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine C20 H23 N7 O2 S 425.507 11669059 0 53 0 56 21 3
1IC O-octanoyl-D-serine C11 H21 N O4 231.289 162368291 0 37 1 36 0 2
1KD Ibutamoren
  • Ibutamoren
  • Ibutamoren mesylate
  • 2-amino-n-((r)-2-(benzyloxy)-1-((1-(methylsulfonyl)spiro(indoline-3,4'-piperidin)-1'-yl)carbonyl)ethyl)-2-methylpropionamide
  • 2-amino-n-(3-(benzyloxy)-1-(1-methanesulfonyl-1,2-dihydrospiro(indole-3,4'-piperidin)-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide
 C27 H36 N4 O5 S 528.664 178024 0 73 1 76 12 2
4YI 2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide C19 H15 Cl N4 O2 366.801 0 41 0 43 18 2
7Y5 Selatogrel [(2~{R})-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3~{S})-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic acid; [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic acid; 4-((R)-2-((6-((S)-3-Methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-phosphonopropionyl)piperazine-1-carboxylic acid butyl ester C28 H39 N6 O8 P 618.618 59534142 0 82 2 85 12 1
8E2 Preladenant conjugate PSB-2113 ~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate C38 H52 N10 O9 792.881 162677683 0 109 0 114 25 1
8IM 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide C52 H68 B F2 N13 O8 1,051.986 162677684 0 144 0 152 30 1
3IQ (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium C13 H16 N3 214.286 164575847 1 32 1 34 10 2
41Y 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol C32 H41 F N2 O2 504.679 163183774 0 78 2 81 18 2
82L 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid C32 H32 F2 N6 O3 586.632 134611223 0 75 0 80 27 1
8IU (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine C18 H21 N5 307.393 95882507 0 44 1 47 16 4
8IX N-[(1r,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-D-phenylalanine C22 H29 N O3 355.471 0 55 3 58 6 2
8QY PZM21 PZM21 C19 H27 N3 O2 S 361.502 121596705 0 52 2 53 11 4
8RI (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide C24 H26 N2 O2 374.475 162745306 0 54 1 56 17 2
9IG Tecalcet Tecalcet C18 H22 Cl N O 303.826 158797 0 43 1 44 12 11
GJ9 (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium C28 H38 N5 O4 S 540.697 164575505 1 76 0 80 16 3
A6F Danavorexton
  • 1-piperidinecarboxylic acid, 3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)-, methyl ester, (2r,3s)-
  • Danavorexton
  • Methyl (2R,3S)-3-[(Methylsulfonyl)Amino]-2-{[(Cis-4-Phenylcyclohexyl)Oxy]Methyl}Piperidine-1-Carboxylate
  • Methyl (2r,3s)-3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)piperidine-1-carboxylate
 C21 H32 N2 O5 S 424.554 0 61 2 63 6 4
8EH (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide C24 H27 N7 O5 S 525.58 122701908 0 64 2 67 23 5
THO L-Threoninol L-Threoninol C4 H11 N O2 105.136 2033049 0 18 2 17 0 4
EIG Mitragynine pseudoindoxyl methyl (2E)-4-[(2S,2'S)-1'-butyl-4-methoxy-3-oxo-1,3-dihydrospiro[indole-2,3'-pyrrolidin]-2'-yl]-2-(methoxymethylidene)butanoate C23 H30 N2 O5 414.495 44301701 0 60 4 63 6 6
EID Lofentanil methyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate C25 H32 N2 O3 408.533 10070040 0 62 2 64 12 2
FUI N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea C20 H21 Cl N4 O2 384.859 24776341 0 48 0 50 12 2
ACH Acetylcholine
  • Acetylcholine chloride
  • Acetylcholine
  • ACh
  • O-Acetylcholine
  • Choline acetate
 C7 H16 N O2 146.207 187 1 26 0 25 0 10
Z41 (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate C35 H68 O5 568.911 644078 0 108 1 107 0 4
NKP (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate 18:1 LPA; oleoyl lysophosphatidic acid C21 H41 O7 P 436.52 49837858 0 70 1 69 0 16
IUE 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide C13 H14 Cl N3 O2 S 311.787 11536903 0 34 0 36 10 2
IUI 5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide C17 H15 F3 N4 O3 S2 444.451 73774630 0 44 0 46 16 2
KKF 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one C23 H21 Cl3 N2 O3 479.783 126843232 0 52 0 55 12 1
KJX (2S,4aS,4bS,7R,8S,8aS,9R,10aR)-7-[(2R,3R)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol C27 H46 O3 418.652 11954197 0 76 9 79 0 2
KZR N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide C23 H39 N5 O 401.589 10363696 0 68 0 69 6 2
L0X N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide C22 H37 N5 O 387.562 163201242 0 65 0 66 6 2
FO9 famotidine C8 H17 N7 O2 S3 339.461 0 37 0 37 0 1
NG0 Alvimopan Alvimopan C25 H32 N2 O4 424.533 5488548 0 63 3 65 12 1
NN6 ~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2,4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide C17 H14 F4 N4 O 366.313 60152964 0 40 0 42 12 1
8K3 3-(2-azanylethyl)-1H-indole-5-carboxamide C11 H13 N3 O 203.24 1809 0 28 0 29 10 8
D6M N-hexadecanoyl-L-glutamic acid C21 H39 N O5 385.538 161955 0 66 1 65 0 16
5XI methyl 4-[4-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate C20 H28 N4 O3 372.461 9864275 0 55 0 58 6 2
6IB 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine C32 H45 N3 O3 519.718 2855 0 83 0 85 18 5
TYC L-tyrosinamide
  • (2S)-2-amino-3-(4-hydroxyphenyl)propanamide
  • Tyrosinamide
  • L-Tyrosine amide
  • Tyrosine amide
  • L-tyrosinamide
 C9 H12 N2 O2 180.204 151243 0 25 1 25 6 12
7I4 Icanbelimod
  • Icanbelimod
  • S1p receptor agonist 1
 C23 H24 F N3 O3 409.453 117972004 0 54 0 57 17 4
LTB Leukotriene B4
  • LTB4
  • Leukotriene B4
 C20 H32 O4 336.466 5280492 0 56 2 55 0 2
7RU Cariprazine Cariprazine C21 H32 Cl2 N4 O 427.411 0 60 0 62 6 1
7ZQ 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide C17 H17 Cl N2 O2 316.782 2548547 0 39 1 40 12 8
K4Q [(2~{S})-2-azanyl-3-oxidanylidene-propyl] octanoate C11 H21 N O3 215.289 155312307 0 36 1 35 0 2
BAL beta-Alanine β-alanine C3 H7 N O2 89.093 239 0 13 0 12 0 7
NLN NORLEUCINE AMIDE 2-AMINO-HEXANOIC ACID AMIDE C6 H14 N2 O 130.188 445699 0 23 1 22 0 2
8B8 (2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide C32 H36 N6 O5 584.665 9829828 0 79 1 83 22 1
W96 N-pyridin-4-ylisoquinolin-4-amine C14 H11 N3 221.257 164946675 0 28 0 30 17 2
W58 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine C13 H15 N 185.265 164946676 0 29 0 31 6 2
91Q 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol C12 H16 N2 O 204.268 4980 0 31 0 32 10 8
92S Lumateperone lumateperone C24 H28 F N3 O 393.497 21302490 0 57 2 61 12 1
93F (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene C24 H31 N3 O 377.522 162421364 0 59 2 63 12 1
8VP MBX-2982 MBX-2982 C22 H24 N8 O S 448.544 25025505 0 56 0 60 22 4
8WL N-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine AR231453 C21 H24 F N7 O5 S 505.523 24939268 0 59 0 62 17 4
9FI ~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide C33 H41 N5 O2 539.711 9915239 0 81 3 86 16 2
CWY (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid C16 H18 N2 O6 334.324 60096231 0 42 5 44 6 1
LPD L-PROLINAMIDE C5 H10 N2 O 114.146 111306 0 18 1 18 0 2
K6G [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate C24 H51 N O7 P 496.638 0 84 1 83 0 6
4PH 4-methyl-L-phenylalanine C10 H13 N O2 179.216 6992323 0 26 1 26 6 2
RGI METHYLCARBAMIC ACID C2 H5 N O2 75.067 30536 0 10 0 9 0 2
86W Tavapadon Tavapadon C19 H16 F3 N3 O3 391.344 86764100 0 44 0 46 12 2
BYI 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid C54 H52 N4 O16 S2 1,077.138 0 128 0 134 34 2
WB2 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid C52 H48 N4 O14 S2 1,017.086 0 120 2 126 34 2
EI5 3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid C23 H23 Cl N2 O3 410.893 67469417 0 52 1 54 18 2
FI7 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid C19 H22 N4 O5 386.402 135416394 0 50 0 52 11 16
GJ6 (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol C13 H19 N O3 237.295 12353629 0 36 2 37 6 1
G1I (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol C11 H15 N O3 209.242 12353638 0 30 2 31 6 141
AND Prasterone Dehydroisoandrosterone C19 H28 O2 288.424 5881 0 49 6 52 0 8
I8B (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid C24 H28 N4 O4 S 468.569 11442741 0 61 2 63 17 2
GI9 tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate L-054,52 C35 H47 N7 O5 645.792 15965425 0 94 3 98 16 1
PPN PARA-NITROPHENYLALANINE C9 H10 N2 O4 210.187 13706 0 25 1 25 6 1
DTY D-Tyrosine
  • (R)-2-Amino-3-(p-hydroxyphenyl)propionic acid
  • D-Tyrosine
  • D-Tyrosin
  • D-Tyr
  • (R)-3-(p-Hydroxyphenyl)alanine
 C9 H11 N O3 181.189 71098 0 24 1 24 6 9
IA1 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid C32 H36 Cl N3 O5 S 610.163 9852833 0 78 0 82 21 2
SY9 Strychnine Strychnine nitrate C21 H22 N2 O2 334.412 441071 0 47 7 53 6 2
H8I [2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone C21 H16 Cl2 N2 O2 399.27 46195848 0 43 0 46 18 2
WJS (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid C24 H20 N O9 P 497.391 0 55 2 54 0 4
HOI ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide C31 H29 N3 O5 523.579 118685720 0 68 1 72 24 4
I5D 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide C19 H17 N5 O2 S 379.436 11717831 0 44 0 46 12 4
LSC (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide C26 H53 N O7 P 522.675 5313986 1 88 1 87 0 2
I7J propan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate C21 H24 F N5 O5 S 477.509 11705608 0 57 0 60 16 2
OH Hydroxide ion
  • Oxidanide
  • Hydroxide
  • Hydroxide ion
 H O 17.007 961 -1 2 0 1 0 2
IUD Paltusotine 3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile C27 H22 F2 N4 O 456.487 134168328 0 56 0 60 23 2
ITF 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate C6 H10 N4 S 170.235 3692 0 21 0 21 5 6
IVB Nalfurafine ~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-propanamide C28 H32 N2 O5 476.564 6445230 0 67 5 73 11 3
IYF 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine C20 H22 Cl N5 O 383.875 138319674 0 49 0 51 16 4
IYM [(1S)-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-yl-methanone C28 H35 N3 O5 493.595 166625060 0 71 1 75 16 2
JGX Tamsulosin Tamsulosinum C20 H28 N2 O5 S 408.512 129211 0 56 1 57 12 1
K6L [(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate C20 H34 N O6 P 415.461 141702624 0 62 1 62 6 11
B2O 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid C26 H30 N O3 404.521 164607208 1 60 0 63 17 1
U30 Etrumadenant Etrumadenant C23 H22 N8 O 426.474 135242184 0 54 0 57 23 3
LJX (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol C19 H21 N5 O3 S 399.467 164885960 0 49 3 52 15 2
T4U Lorcaserin Lorcaserin C11 H14 Cl N 195.689 11658860 0 27 1 28 6 6
TKO (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine C12 H8 Br N3 O 290.115 105526064 0 25 0 27 16 1
U39 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide C18 H20 N2 O4 S 360.427 71598556 0 45 0 47 12 2
U2U N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide C23 H21 N3 O4 S 435.496 139030531 0 52 0 55 23 4
U99 methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate C23 H30 O8 434.48 44456192 0 61 7 64 5 4
U9I methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate C19 H25 Cl2 N3 O3 414.326 6603856 0 52 1 54 6 4
WEC 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine C18 H20 N4 292.378 16103 0 42 0 45 12 4
WE9 8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine C18 H19 Cl N4 O 342.823 135445691 0 43 0 46 12 2
7V7 Fentanyl N-(1-phenethyl-4-piperidinyl)-N-phenylpropionamide C22 H28 N2 O 336.471 3345 0 53 0 55 12 2
MOI Morphine Morphine C17 H19 N O3 285.338 5288826 0 40 5 44 6 2
WH2 Oliceridine
  • Oliceridine
  • 奥赛利定
 C22 H30 N2 O2 S 386.551 66553195 0 57 1 60 11 2
WH9 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one C19 H18 Cl3 N3 O 410.725 130431397 0 44 0 47 12 2
HXA Doconexent (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid C22 H32 O2 328.488 445580 0 56 0 55 0 12
PPI Propanoic acid
  • Sodium propionate
  • Propionic acid
  • Propanoic acid
 C3 H6 O2 74.079 1032 0 11 0 10 0 2
DTH D-THREONINE C4 H9 N O3 119.119 69435 0 17 2 16 0 4
XT9 6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol C19 H26 N2 O3 330.421 169491067 0 50 5 54 6 2
SRW 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol C26 H31 F N4 O2 450.548 118610427 0 64 0 68 17 10
XNO Xanomeline (5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine C14 H23 N3 O S 281.417 60809 0 42 0 43 5 2
YFW 5-methoxy-N,N-dimethyltryptamine 5-methoxy-N,N-dimethyl-1H-indole-3-ethanamine C13 H18 N2 O 218.295 1832 0 34 0 35 10 4
YGH 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole C15 H19 F N2 O 262.323 10015574 0 38 0 40 10 2
YG7 Vilazodone
  • Vilazodonum
  • Vilazodone
  • Vilazodona
  • Vilazodone hydrochloride
 C26 H27 N5 O2 441.525 6918314 0 60 0 64 20 2
YLX Buspirone Buspironum C21 H31 N5 O2 385.503 2477 0 59 0 62 6 10
YI9 6-(octylamino)pyrimidine-2,4(3H,5H)-dione C12 H21 N3 O2 239.314 125356668 0 38 0 38 0 2
LPC [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE C22 H47 N O7 P 468.585 444675 1 78 2 77 0 2
YN9 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid C23 H21 F O3 364.409 57522038 0 48 0 50 18 8
YVF methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate C20 H18 F3 N3 O3 S 437.435 170838490 0 48 1 50 16 5
YX9 (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one C21 H29 F2 N5 O2 421.484 25014543 0 59 2 61 11 2
Z2C 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid C23 H36 O6 S 440.593 169501697 0 66 5 67 6 2
YZV (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol C21 H29 F2 N5 O2 421.484 0 59 3 61 11 2
ZI5 (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide C24 H41 N O2 375.588 145964903 0 68 2 67 0 2
JQR ~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide C20 H19 N3 O4 S 397.448 23144148 0 47 0 50 16 1
JQ9 Istradefylline istradefylline C20 H24 N4 O4 384.429 5311037 0 52 0 54 11 3
CW9 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine C21 H28 Br N5 O4 494.382 44517108 0 59 0 61 16 1
0JS 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine C23 H30 Br N5 O2 488.421 168477797 0 61 0 64 16 1
0VI 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine C23 H27 Br F6 N5 O2 599.387 168477862 0 64 1 66 12 1
KNF Olorinab (2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide C18 H23 N5 O3 357.407 60164925 0 49 3 52 11 2
KO3 Onternabez
  • Onternabez
  • [(1S,2S,5S)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol
 C27 H42 O3 414.621 11553430 0 72 3 74 6 2
KO8 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione C25 H31 F N4 O3 454.537 46219896 0 64 0 67 12 2
KHF PCO-371 1-[3,5-dimethyl-4-[2-[[4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethyl-imidazolidine-2,4-dione C29 H32 F3 N5 O6 S 635.654 76283707 0 76 0 80 12 4
NIO Niacin β-pyridinecarboxylic acid C6 H5 N O2 123.109 938 0 14 0 14 6 19
WPT 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid C22 H21 N O3 347.407 11595431 0 47 0 49 18 2
WYB Lodoxamide Lodoxamide C11 H6 Cl N3 O6 311.635 44564 0 27 0 27 6 2
4AI (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide PS372424 C33 H44 N6 O4 588.74 12000484 0 87 2 90 12 2
4IE [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium VUF11222 C25 H31 Br N 425.424 71459295 1 58 2 61 12 2
43I 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide C23 H31 Cl2 N7 O 492.445 11995774 0 64 1 67 12 1
140 N-hexadecanoylglycine N-(1-Oxohexadecyl)glycine C18 H35 N O3 313.475 151008 0 57 0 56 0 2
9HO 9(S)-HODE
  • 9(S)-HODE
  • 9S-Hode
  • alpha-Dimorphecolic acid
  • (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
 C18 H32 O3 296.445 5312830 0 53 1 52 0 2
NFI 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid C20 H17 N O5 351.353 168654812 0 43 0 45 16 2
O6F N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide C26 H33 N3 O3 S 467.624 67530240 0 66 0 69 16 2
OJX 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid C6 H7 N2 O3 155.131 59806020 1 18 0 18 6 7
OKL 8-chloranyl-3-pentyl-7H-purine-2,6-dione C10 H13 Cl N4 O2 256.689 46215799 0 30 0 31 5 9
ERY Erythromycin Erythromycin lactobionate C37 H67 N O13 733.927 12560 0 118 18 120 0 2
7NR 9-Hydroxyoctadecanoic acid 9-Hydroxystearic acid C18 H36 O3 300.477 9601093 0 57 1 56 0 2
EIC Linoleic acid Sodium linolate C18 H32 O2 280.445 5280450 0 52 0 51 0 2
OLA OLEIC ACID C18 H34 O2 282.461 445639 0 54 0 53 0 3
EPA Icosapent 5,8,11,14,17-eicosapentaenoic acid C20 H30 O2 302.451 446284 0 52 0 51 0 2
P8A 5-butyl-1~{H}-pyrazole-3-carboxylic acid C8 H12 N2 O2 168.193 6485181 0 24 0 24 5 2
P9X (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid Acifran C12 H10 O4 218.205 76969700 0 26 1 27 6 13
Q2B 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole C20 H16 N2 O3 332.353 703205 0 41 1 44 21 2
Q2L 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole C23 H20 N2 O3 372.417 171393541 0 48 1 51 22 2
87Q Carboprost (15s)-15-methylprostaglandin f2.alpha. C21 H36 O5 368.508 5281075 0 62 5 62 0 2
7WT Latanoprost acid 7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid C23 H34 O5 390.513 6441636 0 62 5 63 6 6
R5F Rotigotine (6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol C19 H25 N O S 315.473 59227 0 47 1 49 11 10
8IA ~{N},~{N}-dimethylcyclohexanamine C8 H17 N 127.227 7415 0 26 0 26 0 4
UGU Dinoprost Dinoprost; Prostaglandin F2a; PGF2alpha C20 H34 O5 354.481 5280363 0 59 5 59 0 4
S2F (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid Tafluprost acid C22 H28 F2 O5 410.452 9978917 0 57 4 58 6 2
SPD Spermidine 4-azaoctamethylenediamine C7 H19 N3 145.246 1102 0 29 0 28 0 3
PEA Phenethylamine 2-phenylethylamine C8 H12 N 122.188 448751 1 21 0 21 6 9
S6R 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid C34 H31 Cl N2 O5 583.073 169422747 0 73 0 77 24 1
TJR [(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate C21 H43 O7 P 438.536 9547179 0 72 1 71 0 2
UBL [(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate C21 H41 O7 P 436.52 5311263 0 70 1 69 0 4
HXD (3R)-3-HYDROXYDODECANOIC ACID 3-OH-DODECANOATE C12 H24 O3 216.317 5312804 0 39 1 38 0 2
SWO 6-nonylpyridine-2,4-diol C14 H23 N O2 237.338 127045422 0 40 0 40 6 2
9T4 (4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide C21 H18 Cl2 N2 O3 417.285 124893090 0 46 1 49 11 2
LEA N-Valeric Acid VALERIC ACID C5 H10 O2 102.132 7991 0 17 0 16 0 2
BUA Butyric Acid α-keto-γ-methylselenobutyrate C4 H8 O2 88.105 264 0 14 0 13 0 6
9UJ (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid TUG-1375 C22 H19 Cl N2 O4 S 442.915 138319694 0 49 2 52 17 12
ACT Acetate Acetic acid, ion(1-) C2 H3 O2 59.044 175 -1 7 0 6 0 2
IX8 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide C26 H28 N4 O2 428.526 25101223 0 60 1 63 22 8
3HR (3R)-3-hydroxybutanoic acid C4 H8 O3 104.105 92135 0 15 1 14 0 2
BQI 5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine ADX88178 C12 H12 N6 S 272.329 46836872 0 31 0 33 16 2
BK0 N-(3-chlorophenyl)pyridine-2-carboxamide C12 H9 Cl N2 O 232.666 836002 0 25 0 26 12 2
3HO (3S)-3-hydroxyoctanoic acid C8 H16 O3 160.211 11367166 0 27 1 26 0 2
CW3 3-nitro-4-(propylamino)benzoic acid 68740-31-8 C10 H12 N2 O4 224.213 11715556 0 28 0 28 6 2
UR9 Monomethyl fumarate (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid C5 H6 O4 130.099 5369209 0 15 0 14 0 2
AW9 (2Z)-4-methoxy-4-oxobut-2-enoic acid C5 H6 O4 130.099 5354456 0 15 0 14 0 2
DSN D-Serine D-Serine C3 H7 N O3 105.093 71077 0 14 1 13 0 2
DZQ Olodaterol 868049-49-4 C21 H26 N2 O5 386.442 11504295 0 54 1 56 12 1
UJF 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol C14 H14 I N O2 355.171 9950514 0 32 0 33 12 4
UJL Ulotaront Ulotaront; SEP-363856; SEP-856 C9 H13 N O S 183.271 89532783 0 25 1 26 5 12
UJU Ralmitaront Ralmitaront C17 H22 N4 O2 314.382 130429734 0 45 1 47 11 2
VRK (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol C20 H27 N O3 329.433 0 51 2 55 6 2
UQL 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine ST1936 C13 H17 Cl N2 236.74 9921064 0 33 0 34 10 2
ALF Tetrafluoroaluminate Ion
  • tetrafluoroaluminate(1−)
  • Tetrafluoroaluminate anion
  • Tetrafluoroaluminate Ion
 Al F4 102.975 91866986 -1 5 0 4 0 4
STU Staurosporine Staurosporine C28 H26 N4 O3 466.531 44259 0 61 4 68 24 4
U9S (2R,3S)-oxirane-2,3-dicarboxylic acid cis-2,3-epoxysuccinic acid C4 H4 O5 132.072 2734802 0 13 2 13 0 4
PIO [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate C25 H49 O19 P3 746.566 9543520 0 96 7 96 0 2
1WE Dextroamphetamine (+)-amphetamine C9 H13 N 135.206 5826 0 23 1 23 6 2
UYI Anamorelin 2-azanyl-N-[(2R)-1-[(3R)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide; DB06645 C31 H42 N6 O3 546.704 9828911 0 82 2 85 16 2
EZX 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one C23 H24 F N3 O 377.455 170838539 0 52 1 56 16 3
VBF 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile C26 H24 N6 O2 452.508 168451710 0 58 0 61 18 1
V6X 4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine PF-6142 C21 H16 N4 O2 356.377 75201901 0 43 0 47 26 1
VBU Clozapine 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine C18 H19 Cl N4 326.823 135398737 0 42 0 45 12 2
VCF 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine VUF-6884 C18 H18 Cl N3 O 327.808 11846300 0 41 0 44 12 2
VCL 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate Clobenpropit C14 H17 Cl N4 S 308.83 2790 0 37 0 38 11 2
FI6 N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide (+/-)-AMG 487 C32 H28 F3 N5 O4 603.591 24957182 0 72 1 76 24 1
VF0 (2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid C20 H38 N O9 P 467.491 168719765 0 69 2 68 0 2
JW0 (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24 H41 O7 P 472.552 172408416 0 73 10 76 0 3
J3O Fenofibrate 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester C20 H21 Cl O4 360.831 3339 0 46 0 47 12 2
VV9 (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine BMS-986122 C16 H15 Br Cl N O3 S2 448.782 1271268 0 39 1 41 12 4
OS9 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one LMD-009 C29 H33 N3 O3 471.591 91032188 0 68 0 72 18 2
OXF 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol ZK-756326 C21 H28 N2 O3 356.459 11688990 0 54 0 56 12 2
LPS Lysophosphotidylserine LYSOPHOSPHOTIDYLSERINE C21 H44 N O9 P 485.549 17754066 0 76 4 75 0 2
ZL9 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one C20 H24 N2 O5 372.415 171392444 0 51 0 53 12 2
ZKV Befiradol
  • 4-piperidinemethanamine
  • (3-chloro-4-fluorophenyl)(4-fluoro-4-((((5-methylpyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone
  • (2E)-2-butenedioate
  • Befiradol
 C20 H22 Cl F2 N3 O 393.858 9865384 0 49 0 51 12 4
FLF Flufenamic acid FLUFENAMIC ACID C14 H10 F3 N O2 281.23 3371 0 30 0 31 12 6
S12 O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine 1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine C24 H46 N O9 P 523.597 137349977 0 81 2 80 0 2
SPM Spermine 4,9-diaza-1,12-dodecanediamine C10 H26 N4 202.34 1103 0 40 0 39 0 5
XY8 3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine C22 H26 F2 N6 412.479 118310209 0 56 0 59 17 1
X7T CVN-424
  • CVN-424
  • ETHANONE, 1-(2-(4-(2,4-DIFLUOROPHENOXY)-1-PIPERIDINYL)-7,8-DIHYDRO-3-(((3R)-TETRAHYDRO-3-FURANYL)AMINO)PYRIDO(3,4-B)PYRAZIN-6(5H)-YL)-
 C24 H29 F2 N5 O3 473.516 137359492 0 63 1 67 12 1
YKU 3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide C23 H16 N4 O 364.399 11245456 0 44 0 47 23 2
ZOB 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide C22 H26 F2 N6 O5 S 524.541 168510218 0 62 0 64 18 1
LSN Losartan Losartan C22 H23 Cl N6 O 422.911 3961 0 53 0 56 22 2
CGZ N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide C14 H19 N3 O3 S 309.384 10804826 0 40 1 42 6 2
W92 (1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid C7 H9 N O5 187.15 99643104 0 22 4 23 0 2
JIX (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid C7 H9 N O5 187.15 92460481 0 22 4 23 0 1
VH6 Plerixafor 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane); AMD3100 C28 H54 N8 502.782 65015 0 90 0 92 6 3
WRU Mianserin C18 H20 N2 264.365 154315 0 40 1 43 12 2
WOQ Setiptiline [4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine; Tecipul; delta(13b,4a),4a-Carba-mianserin; MO-8282; ORG-8282 C19 H19 N 261.361 5205 0 39 0 42 12 2
WV8 (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine C13 H18 N2 O 218.295 24963286 0 34 2 35 6 2
XOT (4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid MK 1903 C8 H8 N2 O2 164.161 49763030 0 20 2 22 5 4
XI9 (3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole C8 H8 N6 188.189 58708479 0 22 2 25 10 3
XUQ Levomenthol L-menthol C10 H20 O 156.265 16666 0 31 3 31 0 2
0WU (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one S-carvone C10 H14 O 150.218 16724 0 25 1 25 0 2
XVT (2R)-2-methyl-1,3-thiazolidine C4 H9 N S 103.186 6999028 0 15 1 15 0 2
YEQ 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol C17 H21 N3 O 283.368 0 42 2 44 12 2
B40 Metamfetamine Dextromethamphetamine C10 H15 N 149.233 10836 0 26 1 26 6 6
T5U (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine RO5256390 C13 H18 N2 O 218.295 24963286 0 34 2 35 6 2
U7D 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea CHEMBL2134995 C14 H12 F3 N3 S 311.325 848971 0 33 0 34 12 3
VMT 2-(4-bromophenyl)ethanamine 4-Bromophenethylamine C8 H10 Br N 200.076 533915 0 20 0 20 6 6
TMA Tetramethylammonium
  • Trimethylaminomethane
  • Tetramethylammonium
 C4 H12 N 74.145 6380 1 17 0 16 0 2
VMK 2-[4-(3-fluorophenyl)phenyl]ethanamine C14 H14 F N 215.266 39243566 0 30 0 31 12 2
HAI Cyclohexylammonium Ion Cyclohexylammonium Ion C6 H14 N 100.182 1549093 1 21 0 21 0 3
WCH (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide C18 H20 N8 O4 412.403 0 50 4 53 16 1
E7P (2S)-2-amino-4-phosphonobutanoic acid C4 H10 N O5 P 183.1 179394 0 21 1 20 0 1
W9R (1R,2S)-2-[[3,5-bis(chloranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid C14 H15 Cl2 N O3 316.18 888023 0 35 2 36 6 2
WAG (1S,2R)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid C20 H19 N O5 353.369 6604829 0 45 4 48 12 1
WA6 (2S)-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid C11 H14 N O5 P 271.206 11459929 0 32 1 33 6 1
ADP Adenosine disphosphate
  • Adenosine disphosphate
  • ADP
 C10 H15 N5 O10 P2 427.201 6022 0 42 5 44 10 4
XQT VU0424465 5-[2-(3-fluorophenyl)ethynyl]-~{N}-[(2~{R})-3-methyl-3-oxidanyl-butan-2-yl]pyridine-2-carboxamide C19 H19 F N2 O2 326.365 53384864 0 43 1 44 12 3
XRQ VU29 N-(1,3-Diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide; ~{N}-(2,5-diphenylpyrazol-3-yl)-4-nitro-benzamide C22 H16 N4 O3 384.387 11610682 0 45 0 48 23 1
Q8L Piclidenoson (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide (non-preferred name) C18 H19 I N6 O4 510.286 123683 0 48 4 51 16 4
XS0 Namodenoson (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide; CF102; Cl-IB-MECA C18 H18 Cl I N6 O4 544.731 3035850 0 48 4 51 16 4
5YM Oleic monoethanolamide Oleamide MEA C20 H39 N O2 325.529 5283454 0 62 0 61 0 4
XWD 4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one C21 H17 F2 N5 O2 409.389 172458163 0 47 1 51 21 2
XB7 Astemizole Astemizolum C28 H31 F N4 O 458.57 2247 0 65 0 69 22 1
Y5E Mepyramine N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine C17 H23 N3 O 285.384 4992 0 44 0 45 12 1
Y5R Desloratadine 13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene C19 H19 Cl N2 310.821 124087 0 41 0 44 12 1
Y9Q 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid C25 H29 N3 O3 419.516 9931891 0 60 0 62 18 2
Y9J Treprostinil Treprostinil diolamine C23 H34 O5 390.513 6918140 0 62 5 64 6 2
DHT Stanolone 17beta-Hydroxyandrostan-3-one C19 H30 O2 290.44 10635 0 51 7 54 0 6
YNH methyl 3-[2-(2,4-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate C24 H31 N3 O4 425.521 7346086 0 62 0 64 12 2
KW0 (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid C26 H50 N O9 P 551.65 118584207 0 87 2 86 0 3
KW3 (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid C30 H36 N O11 P 617.581 162656636 0 79 2 81 18 3
UYA (4R)-4-hydroxy-D-proline C5 H9 N O3 131.13 6971279 0 18 2 18 0 2
XZA diazanecarboxylic acid C H4 N2 O2 76.055 129728243 0 9 0 8 0 6
NMM Tilarginine N-Methylarginine C7 H16 N4 O2 188.228 46906075 0 29 1 28 0 6
HZP (4S)-4-hydroxy-L-proline C5 H9 N O3 131.13 6971054 0 18 2 18 0 2
004 (2S)-amino(phenyl)ethanoic acid L-Phenylglycine C8 H9 N O2 151.163 99291 0 20 1 20 6 8
TY5 O-benzyl-L-tyrosine C16 H17 N O3 271.311 6928217 0 37 1 38 12 6
NIT 4-NITROANILINE PARANITROANILINE C6 H6 N2 O2 138.124 7475 0 16 0 16 6 2
FC0 N-CARBOXY-L-PHENYLALANINE C10 H11 N O4 209.199 20637693 0 26 1 26 6 2
PUC (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid 15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid C21 H34 O4 350.492 5311493 0 59 5 60 0 4
GOQ 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid C17 H11 N O7 341.272 2236 0 36 0 39 16 8
_W_ 47
IMN Indomethacin 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid C19 H16 Cl N O4 357.788 3715 0 41 0 43 16 2
PFS Platelet Activating Factor PAF acether C26 H54 N O7 P 523.683 108156 0 89 1 88 0 2
MED D-Methionine D-Methionine C5 H11 N O2 S 149.211 6992109 0 20 1 19 0 2
NAL Beta-(2-Naphthyl)-Alanine Beta-(2-Naphthyl)-Alanine C13 H13 N O2 215.248 6927613 0 29 1 30 11 2
16C N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE C16-CERAMIDE; N-PALMITOYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-PALMITOYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-PALMITOYLAMINO-1,3-OCTADEC-4-ENEDIOL C34 H67 N O3 537.901 5283564 0 105 2 104 0 4
6MD N-methyladenosine C11 H15 N5 O4 281.268 102175 0 35 4 37 10 2
ZIR Riboprine
  • IPA
  • riboprina
  • Riboprine
 C15 H21 N5 O4 335.358 24405 0 45 4 47 10 2
MW9 (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) C42 H81 O10 P 777.06 24779551 0 134 2 133 0 3
MAE Maleic acid (Z)-2-butenedioic acid C4 H4 O4 116.072 444266 0 12 0 11 0 2
2ML alpha-Methylleucine
  • alpha-Methylleucine
  • (S)-2-Methylleucine
  • 2-Methyl-L-leucine
 C7 H15 N O2 145.199 446181 0 25 1 24 0 8
AKG Oxogluric acid 2-oxopentanedioic acid C5 H6 O5 146.098 51 0 16 0 15 0 2
2OP L-Lactic acid (S)-(+)-lactic acid C3 H6 O3 90.078 107689 0 12 1 11 0 2
PHA PHENYLALANINAL C9 H11 N O 149.19 446207 0 22 1 22 6 4
HYP Hydroxyproline HYDROXYPROLINE C5 H9 N O3 131.13 6971053 0 18 2 18 0 4
ACY Acetic acid Ethanoic acid C2 H4 O2 60.052 176 0 8 0 7 0 2
PG2 Prostaglandin D2 (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID C20 H32 O5 352.465 448457 0 57 4 57 0 6
XCP (1S,2S)-2-aminocyclopentanecarboxylic acid C6 H11 N O2 129.157 10997062 0 20 2 20 0 2
DVA D-VALINE C5 H11 N O2 117.146 6971095 0 19 1 18 0 2
ALO ALLO-THREONINE C4 H9 N O3 119.119 6995276 0 17 2 16 0 2
LTD Leukotriene D4
  • Leukotriene D4
  • 5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid
  • S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycine
  • (R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)glycine
  • LTD4
 C25 H40 N2 O6 S 496.66 5280878 0 74 3 73 0 2
UPG Uridine diphosphate glucose Uridine diphosphate glucose C15 H24 N2 O17 P2 566.302 8629 0 60 9 62 0 4
NAI NADH DPNH C21 H29 N7 O14 P2 665.441 439153 0 73 10 77 10 2
UGA UDP-alpha-D-glucuronic acid uridine diphosphate glucuronic acid C15 H22 N2 O18 P2 580.285 17473 0 59 11 61 6 2
LE1 3-sulfanyl-L-valine L-LE1ICILLAMINE; L-Penicillamine C5 H11 N O2 S 149.211 6926436 0 20 1 19 0 2
18C N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE C18-CERAMIDE; N-STEAROYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-STEAROYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-STEAROYLAMINO-1,3-OCTADEC-4-ENEDIOL C36 H71 N O3 565.954 5283565 0 111 2 110 0 2
HF2 (2R)-2-hydroxy-3-phenylpropanoic acid C9 H10 O3 166.174 643327 0 22 1 22 6 2
ZIT Azithromycin Azithromycin hemiethanolate monohydrate C38 H72 N2 O12 748.984 447043 0 124 18 126 0 2
UTP Uridine 5'-triphosphate
  • Uridine triphosphate
  • Uridine 5'-triphosphate
 C9 H15 N2 O15 P3 484.141 6133 0 44 6 45 6 2
ATP ATP Adenosine 5'-triphosphate C10 H16 N5 O13 P3 507.181 5957 0 47 6 49 10 4
SA0 Salicin D-(-)-salicin C13 H18 O7 286.278 439503 0 38 5 39 6 8
34D 3,5-DIHYDROXYBENZOATE C7 H6 O4 154.12 7424 0 17 0 17 6 2
MLE N-METHYLLEUCINE C7 H15 N O2 145.199 2777993 0 25 1 24 0 8
DR7 Atazanavir ATAZANAVIR; METHYL [(1S,4S,5S,10S)-4-BENZYL-1,10-DI-TERT-BUTYL-5-HYDROXY-2,9,12-TRIOXO-7-(4-PYRIDIN-2-YLBENZYL)-13-OXA-3,7,8,11-TETRAAZATETRADEC-1-YL]CARBAMATE C38 H52 N6 O7 704.855 148192 0 103 4 105 19 6
HVG 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid (S)-3,4-Dicarboxyphenylglycine (DCPG) C10 H9 N O6 239.182 16062593 0 26 1 26 6 2
_X_ 1
VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine C10 H15 N5 O10 P2 S 459.266 6858270 0 43 4 45 5 6
RRY 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose C6 H10 Cl2 O4 217.047 67253069 0 22 4 22 0 1
RRJ 4-chloro-4-deoxy-alpha-D-galactopyranose C6 H11 Cl O5 198.602 54347843 0 23 5 23 0 1
DLE D-Leucine (R)-leucine C6 H13 N O2 131.173 6950207 0 22 1 21 0 6
OTR 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL R-OCTOPAMINE C8 H11 N O2 153.178 440266 0 22 1 22 6 2
ABU gamma-Aminobutyric acid 4Abu C4 H9 N O2 103.12 119 0 16 0 15 0 2
_W2 1