N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C111H138N24O18S6 — CID 164992739

About N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 164992739) has the molecular formula C111H138N24O18S6 and a molecular weight of 2288.88 g/mol. Its IUPAC name is N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 164992739
• Molecular Formula: C111H138N24O18S6
• Molecular Weight: 2288.88 g/mol
• Exact Mass: 2286.89
• IUPAC Name: N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(-c2cc3c(c(C(=O)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(C(C)N(C)S(C)(=O)=O)n2)C(=O)N(CC2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(C(C)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(CN4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(OCCO)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
• InChI: InChI=1S/C24H31N5O3S.C23H27N5O4S.C23H29N5O3S.C21H27N5O4S2.C20H24N4O4S/c1-13-22(33-24(25-13)26-16(4)30)19-11-18-12-29(14(2)17-5-6-17)23(31)20(18)21(27-19)15(3)28-7-9-32-10-8-28;1-12-20(33-23(24-12)25-14(3)29)17-10-16-11-28(13(2)15-4-5-15)21(30)18(16)19(26-17)22(31)27-6-8-32-9-7-27;1-13-21(32-23(24-13)25-15(3)29)18-10-17-11-28(14(2)16-4-5-16)22(30)20(17)19(26-18)12-27-6-8-31-9-7-27;1-11-19(31-21(22-11)23-13(3)27)16-8-15-10-26(9-14-6-7-14)20(28)17(15)18(24-16)12(2)25(4)32(5,29)30;1-10-17(29-20(21-10)22-12(3)26)15-8-14-9-24(11(2)13-4-5-13)19(27)16(14)18(23-15)28-7-6-25/h11,14-15,17H,5-10,12H2,1-4H3,(H,25,26,30);10,13,15H,4-9,11H2,1-3H3,(H,24,25,29);10,14,16H,4-9,11-12H2,1-3H3,(H,24,25,29);8,12,14H,6-7,9-10H2,1-5H3,(H,22,23,27);8,11,13,25H,4-7,9H2,1-3H3,(H,21,22,26)/t14-,15?;13-;14-;;11-/m000.0/s1
• InChIKey: HCCOMRIHHHZITK-KIGAYRKFSA-N
• XLogP: 14.76
• TPSA: 497.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.88
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 164992739) is N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cc3c(c(C(=O)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(C(C)N(C)S(C)(=O)=O)n2)C(=O)N(CC2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(C(C)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(CN4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(OCCO)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.

What is the InChIKey of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is HCCOMRIHHHZITK-KIGAYRKFSA-N. The full InChI is InChI=1S/C24H31N5O3S.C23H27N5O4S.C23H29N5O3S.C21H27N5O4S2.C20H24N4O4S/c1-13-22(33-24(25-13)26-16(4)30)19-11-18-12-29(14(2)17-5-6-17)23(31)20(18)21(27-19)15(3)28-7-9-32-10-8-28;1-12-20(33-23(24-12)25-14(3)29)17-10-16-11-28(13(2)15-4-5-15)21(30)18(16)19(26-17)22(31)27-6-8-32-9-7-27;1-13-21(32-23(24-13)25-15(3)29)18-10-17-11-28(14(2)16-4-5-16)22(30)20(17)19(26-18)12-27-6-8-31-9-7-27;1-11-19(31-21(22-11)23-13(3)27)16-8-15-10-26(9-14-6-7-14)20(28)17(15)18(24-16)12(2)25(4)32(5,29)30;1-10-17(29-20(21-10)22-12(3)26)15-8-14-9-24(11(2)13-4-5-13)19(27)16(14)18(23-15)28-7-6-25/h11,14-15,17H,5-10,12H2,1-4H3,(H,25,26,30);10,13,15H,4-9,11H2,1-3H3,(H,24,25,29);10,14,16H,4-9,11-12H2,1-3H3,(H,24,25,29);8,12,14H,6-7,9-10H2,1-5H3,(H,22,23,27);8,11,13,25H,4-7,9H2,1-3H3,(H,21,22,26)/t14-,15?;13-;14-;;11-/m000.0/s1.

What are the key properties of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 2288.88 g/mol, XLogP of 14.76, 31 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(2-hydroxyethoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholine-4-carbonyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(1-morpholin-4-ylethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(morpholin-4-ylmethyl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(cyclopropylmethyl)-4-[1-[methyl(methylsulfonyl)amino]ethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164992739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).