5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C104H133F10N21O12S4 — CID 159132435

IUPAC5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CC(C)(F)C3)c(C(F)(F)F)c2)s1.CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(C#N)c2)s1.Cc1cc(NC2CC3(CCC3)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1
InChIInChI=1S/C27H36FN5O3S.C26H34F3N5O3S.C26H33FN6O3S.C25H30F5N5O3S/c1-16-11-20(31-18-12-27(13-18)7-4-8-27)29-14-19(16)22-21(25(35)33-9-5-17(28)6-10-33)32-24(37-22)23(34)30-15-26(2,3)36;1-15-11-19(32-17-5-4-8-26(28,29)12-17)30-13-18(15)21-20(24(36)34-9-6-16(27)7-10-34)33-23(38-21)22(35)31-14-25(2,3)37;1-26(2,36)15-30-23(34)24-32-20(25(35)33-10-8-18(27)9-11-33)21(37-24)17-12-16(13-28)22(29-14-17)31-19-6-4-3-5-7-19;1-23(2,38)12-32-20(36)21-34-17(22(37)35-6-4-14(26)5-7-35)18(39-21)13-8-16(25(28,29)30)19(31-11-13)33-15-9-24(3,27)10-15/h11,14,17-18,36H,4-10,12-13,15H2,1-3H3,(H,29,31)(H,30,34);11,13,16-17,37H,4-10,12,14H2,1-3H3,(H,30,32)(H,31,35);12,14,18-19,36H,3-11,15H2,1-2H3,(H,29,31)(H,30,34);8,11,14-15,38H,4-7,9-10,12H2,1-3H3,(H,31,33)(H,32,36)
InChIKeyKHBJNFRVSUWPBO-UHFFFAOYSA-N
MW2187.59 g/mol
LogP17.41
Rot. Bonds28

About 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 159132435) has the molecular formula C104H133F10N21O12S4 and a molecular weight of 2187.59 g/mol. Its IUPAC name is 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID159132435
Molecular FormulaC104H133F10N21O12S4
Molecular Weight2187.59 g/mol
Exact Mass2185.92
IUPAC Name5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CC(C)(F)C3)c(C(F)(F)F)c2)s1.CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(C#N)c2)s1.Cc1cc(NC2CC3(CCC3)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1
InChIInChI=1S/C27H36FN5O3S.C26H34F3N5O3S.C26H33FN6O3S.C25H30F5N5O3S/c1-16-11-20(31-18-12-27(13-18)7-4-8-27)29-14-19(16)22-21(25(35)33-9-5-17(28)6-10-33)32-24(37-22)23(34)30-15-26(2,3)36;1-15-11-19(32-17-5-4-8-26(28,29)12-17)30-13-18(15)21-20(24(36)34-9-6-16(27)7-10-34)33-23(38-21)22(35)31-14-25(2,3)37;1-26(2,36)15-30-23(34)24-32-20(25(35)33-10-8-18(27)9-11-33)21(37-24)17-12-16(13-28)22(29-14-17)31-19-6-4-3-5-7-19;1-23(2,38)12-32-20(36)21-34-17(22(37)35-6-4-14(26)5-7-35)18(39-21)13-8-16(25(28,29)30)19(31-11-13)33-15-9-24(3,27)10-15/h11,14,17-18,36H,4-10,12-13,15H2,1-3H3,(H,29,31)(H,30,34);11,13,16-17,37H,4-10,12,14H2,1-3H3,(H,30,32)(H,31,35);12,14,18-19,36H,3-11,15H2,1-2H3,(H,29,31)(H,30,34);8,11,14-15,38H,4-7,9-10,12H2,1-3H3,(H,31,33)(H,32,36)
InChIKeyKHBJNFRVSUWPBO-UHFFFAOYSA-N
XLogP17.41
TPSA453.59 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002187.59
LogP ≤ 517.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 159132435) is 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CC(C)(F)C3)c(C(F)(F)F)c2)s1.CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(C#N)c2)s1.Cc1cc(NC2CC3(CCC3)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.
What is the InChIKey of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is KHBJNFRVSUWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN5O3S.C26H34F3N5O3S.C26H33FN6O3S.C25H30F5N5O3S/c1-16-11-20(31-18-12-27(13-18)7-4-8-27)29-14-19(16)22-21(25(35)33-9-5-17(28)6-10-33)32-24(37-22)23(34)30-15-26(2,3)36;1-15-11-19(32-17-5-4-8-26(28,29)12-17)30-13-18(15)21-20(24(36)34-9-6-16(27)7-10-34)33-23(38-21)22(35)31-14-25(2,3)37;1-26(2,36)15-30-23(34)24-32-20(25(35)33-10-8-18(27)9-11-33)21(37-24)17-12-16(13-28)22(29-14-17)31-19-6-4-3-5-7-19;1-23(2,38)12-32-20(36)21-34-17(22(37)35-6-4-14(26)5-7-35)18(39-21)13-8-16(25(28,29)30)19(31-11-13)33-15-9-24(3,27)10-15/h11,14,17-18,36H,4-10,12-13,15H2,1-3H3,(H,29,31)(H,30,34);11,13,16-17,37H,4-10,12,14H2,1-3H3,(H,30,32)(H,31,35);12,14,18-19,36H,3-11,15H2,1-2H3,(H,29,31)(H,30,34);8,11,14-15,38H,4-7,9-10,12H2,1-3H3,(H,31,33)(H,32,36).
What are the key properties of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2187.59 g/mol, XLogP of 17.41, 28 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159132435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).