5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane

C107H116F4N20O14 — CID 161006479

IUPAC5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane
SMILESC.CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.Fc1ccc(CN2CCNCC2)cc1.N#Cc1ccc(C(=O)N2CCC(N)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF
InChIInChI=1S/C31H31FN6O3.C21H20N4O3.C20H18N4O4.C13H15N3O.C11H15FN2.C8H7NO3.2CH3F.CH4/c32-26-8-3-23(4-9-26)21-36-15-17-38(18-16-36)31(41)25-7-10-28(34-20-25)29(39)35-27-11-13-37(14-12-27)30(40)24-5-1-22(19-33)2-6-24;1-14(26)17-6-7-19(23-13-17)20(27)24-18-8-10-25(11-9-18)21(28)16-4-2-15(12-22)3-5-16;21-11-13-1-3-14(4-2-13)19(26)24-9-7-16(8-10-24)23-18(25)17-6-5-15(12-22-17)20(27)28;14-9-10-1-3-11(4-2-10)13(17)16-7-5-12(15)6-8-16;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-5(10)6-2-3-7(8(11)12)9-4-6;2*1-2;/h1-10,20,27H,11-18,21H2,(H,35,39);2-7,13,18H,8-11H2,1H3,(H,24,27);1-6,12,16H,7-10H2,(H,23,25)(H,27,28);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);2*1H3;1H4/i;;;;;;2*1D;
InChIKeyTWOKRXOOSIXSLG-USKOEZCWSA-N
MW1984.24 g/mol
LogP12.10
Rot. Bonds19

About 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane

5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane (PubChem CID 161006479) has the molecular formula C107H116F4N20O14 and a molecular weight of 1984.24 g/mol. Its IUPAC name is 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane.

Molecular Properties

Compound Name5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane
PubChem CID161006479
Molecular FormulaC107H116F4N20O14
Molecular Weight1984.24 g/mol
Exact Mass1982.90
IUPAC Name5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane
SMILESC.CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.Fc1ccc(CN2CCNCC2)cc1.N#Cc1ccc(C(=O)N2CCC(N)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF
InChIInChI=1S/C31H31FN6O3.C21H20N4O3.C20H18N4O4.C13H15N3O.C11H15FN2.C8H7NO3.2CH3F.CH4/c32-26-8-3-23(4-9-26)21-36-15-17-38(18-16-36)31(41)25-7-10-28(34-20-25)29(39)35-27-11-13-37(14-12-27)30(40)24-5-1-22(19-33)2-6-24;1-14(26)17-6-7-19(23-13-17)20(27)24-18-8-10-25(11-9-18)21(28)16-4-2-15(12-22)3-5-16;21-11-13-1-3-14(4-2-13)19(26)24-9-7-16(8-10-24)23-18(25)17-6-5-15(12-22-17)20(27)28;14-9-10-1-3-11(4-2-10)13(17)16-7-5-12(15)6-8-16;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-5(10)6-2-3-7(8(11)12)9-4-6;2*1-2;/h1-10,20,27H,11-18,21H2,(H,35,39);2-7,13,18H,8-11H2,1H3,(H,24,27);1-6,12,16H,7-10H2,(H,23,25)(H,27,28);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);2*1H3;1H4/i;;;;;;2*1D;
InChIKeyTWOKRXOOSIXSLG-USKOEZCWSA-N
XLogP12.10
TPSA488.84 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001984.24
LogP ≤ 512.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane with MolForge

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Related Compounds

3-[2-cyano-5-(trifluoromethyl)phenyl]-5-(5-methyl-2-pyridinyl)benzoic acid;3-[2-cyano-5-(trifluoromethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 157648668
N-[4-(aminomethyl)-4-(5-fluoro-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-cyano-4-(5-fluoro-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;cyclopropanamine;4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile;2-(5-fluoro-2-pyridinyl)acetonitrile;1-(5-fluoro-2-pyridinyl)-4-oxocyclohexane-1-carbonitrile;methyl 5-cyano-5-(5-fluoro-2-pyridinyl)-2-oxocyclohexane-1-carboxylate;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl]carbamate;4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoic acid
CID 157807955
methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
CID 159136642
Tert-butyl 4-[5-cyano-2-methyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-cyano-2-methyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 160056896
(2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide
CID 160530576
2-Methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
CID 160696486
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 165014595
4-[[2-Fluoro-5-(trifluoromethyl)phenyl]methyl]piperidine-4-carbonitrile;4-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;methane;2-pyridin-4-ylpyridine-3-carboxylic acid;hydrochloride
CID 167538547
4-[(2,6-Difluoro-4-methylphenyl)methyl]piperidine-4-carbonitrile;4-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;methane;2-pyridin-4-ylpyridine-3-carboxylic acid;hydrochloride
CID 167542608
Methane;4-(pyridin-2-ylmethyl)piperidine-4-carbonitrile;4-(pyridin-2-ylmethyl)-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;2-pyridin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167561485
4-[[2-Fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carbonitrile;4-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;methane;2-pyridin-4-ylpyridine-3-carboxylic acid;hydrochloride
CID 167584218
Methane;4-(2-phenylethyl)piperidine-4-carbonitrile;4-(2-phenylethyl)-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;2-pyridin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167587599

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane?
The IUPAC name of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane (CID 161006479) is 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane.
What is the SMILES notation for 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane?
The canonical SMILES for 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane is C.CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.Fc1ccc(CN2CCNCC2)cc1.N#Cc1ccc(C(=O)N2CCC(N)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF.
What is the InChIKey of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane?
The InChIKey is TWOKRXOOSIXSLG-USKOEZCWSA-N. The full InChI is InChI=1S/C31H31FN6O3.C21H20N4O3.C20H18N4O4.C13H15N3O.C11H15FN2.C8H7NO3.2CH3F.CH4/c32-26-8-3-23(4-9-26)21-36-15-17-38(18-16-36)31(41)25-7-10-28(34-20-25)29(39)35-27-11-13-37(14-12-27)30(40)24-5-1-22(19-33)2-6-24;1-14(26)17-6-7-19(23-13-17)20(27)24-18-8-10-25(11-9-18)21(28)16-4-2-15(12-22)3-5-16;21-11-13-1-3-14(4-2-13)19(26)24-9-7-16(8-10-24)23-18(25)17-6-5-15(12-22-17)20(27)28;14-9-10-1-3-11(4-2-10)13(17)16-7-5-12(15)6-8-16;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-5(10)6-2-3-7(8(11)12)9-4-6;2*1-2;/h1-10,20,27H,11-18,21H2,(H,35,39);2-7,13,18H,8-11H2,1H3,(H,24,27);1-6,12,16H,7-10H2,(H,23,25)(H,27,28);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);2*1H3;1H4/i;;;;;;2*1D;.
What are the key properties of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane?
5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane has a molecular weight of 1984.24 g/mol, XLogP of 12.10, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;methane is sourced from PubChem (CID 161006479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).