N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

C123H139F3N20O7S — CID 158910888

IUPACN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)c(C)s2)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ccccn2)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C#N)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccn2)CC1.[C-]#[N+]c1ccc(N2CCC(N(C(=O)CC)c3ccccc3)CC2)nc1
InChIInChI=1S/C26H28N2O2S.C20H22F3N3O.2C20H22N4O.C19H23N3O.C18H22N4O/c1-3-25(29)28(21-12-8-5-9-13-21)22-14-16-27(17-15-22)26(30)24-18-23(19(2)31-24)20-10-6-4-7-11-20;1-2-18(27)26(15-7-4-3-5-8-15)16-10-13-25(14-11-16)19-17(20(21,22)23)9-6-12-24-19;1-3-20(25)24(17-7-5-4-6-8-17)18-11-13-23(14-12-18)19-10-9-16(21-2)15-22-19;1-2-19(25)24(17-8-4-3-5-9-17)18-10-13-23(14-11-18)20-16(15-21)7-6-12-22-20;1-2-19(23)22(16-8-4-3-5-9-16)17-11-14-21(15-12-17)18-10-6-7-13-20-18;1-2-17(23)22(15-7-4-3-5-8-15)16-9-13-21(14-10-16)18-19-11-6-12-20-18/h4-13,18,22H,3,14-17H2,1-2H3;3-9,12,16H,2,10-11,13-14H2,1H3;4-10,15,18H,3,11-14H2,1H3;3-9,12,18H,2,10-11,13-14H2,1H3;3-10,13,17H,2,11-12,14-15H2,1H3;3-8,11-12,16H,2,9-10,13-14H2,1H3
InChIKeyJGPZSNLXAVGQGT-UHFFFAOYSA-N
MW2098.66 g/mol
LogP24.08
Rot. Bonds25

About N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (PubChem CID 158910888) has the molecular formula C123H139F3N20O7S and a molecular weight of 2098.66 g/mol. Its IUPAC name is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
PubChem CID158910888
Molecular FormulaC123H139F3N20O7S
Molecular Weight2098.66 g/mol
Exact Mass2097.08
IUPAC NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)c(C)s2)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ccccn2)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C#N)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccn2)CC1.[C-]#[N+]c1ccc(N2CCC(N(C(=O)CC)c3ccccc3)CC2)nc1
InChIInChI=1S/C26H28N2O2S.C20H22F3N3O.2C20H22N4O.C19H23N3O.C18H22N4O/c1-3-25(29)28(21-12-8-5-9-13-21)22-14-16-27(17-15-22)26(30)24-18-23(19(2)31-24)20-10-6-4-7-11-20;1-2-18(27)26(15-7-4-3-5-8-15)16-10-13-25(14-11-16)19-17(20(21,22)23)9-6-12-24-19;1-3-20(25)24(17-7-5-4-6-8-17)18-11-13-23(14-12-18)19-10-9-16(21-2)15-22-19;1-2-19(25)24(17-8-4-3-5-9-17)18-10-13-23(14-11-18)20-16(15-21)7-6-12-22-20;1-2-19(23)22(16-8-4-3-5-9-16)17-11-14-21(15-12-17)18-10-6-7-13-20-18;1-2-17(23)22(15-7-4-3-5-8-15)16-9-13-21(14-10-16)18-19-11-6-12-20-18/h4-13,18,22H,3,14-17H2,1-2H3;3-9,12,16H,2,10-11,13-14H2,1H3;4-10,15,18H,3,11-14H2,1H3;3-9,12,18H,2,10-11,13-14H2,1H3;3-10,13,17H,2,11-12,14-15H2,1H3;3-8,11-12,16H,2,9-10,13-14H2,1H3
InChIKeyJGPZSNLXAVGQGT-UHFFFAOYSA-N
XLogP24.08
TPSA263.86 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002098.66
LogP ≤ 524.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide with MolForge

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Related Compounds

N-(2-fluorophenyl)-4-[5-[(3-methyl-5-pyrimidin-5-yl-1-benzothiophene-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 67036312
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158029206
[4-[7-(4-Methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
CID 162748588
3-[4-[8-Thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carbonyl]benzonitrile
CID 24734595
1-[4-[2-[[4-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]phenyl]methyl]pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;1-[4-[2-[[4-[4-(thiophene-3-carbonyl)piperazin-1-yl]phenyl]methyl]pyrimidin-4-yl]phenyl]propan-2-one
CID 158119688
N-(4-piperazin-1-yl-3-pyridinyl)-6-(6-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-3-ylpyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-pyrimidin-5-ylpyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-3-ylpyridine-2-carboxamide
CID 158685262
Bis(8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(3-cyclopropyl-4-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 159054252
N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
CID 159157699
Bis(5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one);5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 160931485
6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 161203611
Bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 162219037
[4-[7-(4-Methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-(5-phenylthiophen-2-yl)methanone
CID 162748309

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (CID 158910888) is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)c(C)s2)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ccccn2)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C#N)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ncccn2)CC1.[C-]#[N+]c1ccc(N2CCC(N(C(=O)CC)c3ccccc3)CC2)nc1.
What is the InChIKey of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The InChIKey is JGPZSNLXAVGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S.C20H22F3N3O.2C20H22N4O.C19H23N3O.C18H22N4O/c1-3-25(29)28(21-12-8-5-9-13-21)22-14-16-27(17-15-22)26(30)24-18-23(19(2)31-24)20-10-6-4-7-11-20;1-2-18(27)26(15-7-4-3-5-8-15)16-10-13-25(14-11-16)19-17(20(21,22)23)9-6-12-24-19;1-3-20(25)24(17-7-5-4-6-8-17)18-11-13-23(14-12-18)19-10-9-16(21-2)15-22-19;1-2-19(25)24(17-8-4-3-5-9-17)18-10-13-23(14-11-18)20-16(15-21)7-6-12-22-20;1-2-19(23)22(16-8-4-3-5-9-16)17-11-14-21(15-12-17)18-10-6-7-13-20-18;1-2-17(23)22(15-7-4-3-5-8-15)16-9-13-21(14-10-16)18-19-11-6-12-20-18/h4-13,18,22H,3,14-17H2,1-2H3;3-9,12,16H,2,10-11,13-14H2,1H3;4-10,15,18H,3,11-14H2,1H3;3-9,12,18H,2,10-11,13-14H2,1H3;3-10,13,17H,2,11-12,14-15H2,1H3;3-8,11-12,16H,2,9-10,13-14H2,1H3.
What are the key properties of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide has a molecular weight of 2098.66 g/mol, XLogP of 24.08, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 158910888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).