(1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile

C152H170Cl11F3N30O7 — CID 160769902

About (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile

(1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile (PubChem CID 160769902) has the molecular formula C152H170Cl11F3N30O7 and a molecular weight of 2976.21 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile.

Molecular Properties

• Compound Name: (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile
• PubChem CID: 160769902
• Molecular Formula: C152H170Cl11F3N30O7
• Molecular Weight: 2976.21 g/mol
• Exact Mass: 2969.04
• IUPAC Name: (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile
• SMILES: CC(c1ccc(Cl)cc1C(F)(F)F)n1ncc2ccc(C3=CCN(C(=O)[C@H]4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)C4(N)CCCC4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](CO)C3)cc21
• InChI: InChI=1S/C27H28ClF3N4O.C26H31Cl2N5O.C25H26Cl2N6O.C25H29Cl2N5O2.C25H29Cl2N5O.C24H27Cl2N5O/c1-17(22-8-7-21(28)15-23(22)27(29,30)31)35-25-14-19(5-6-20(25)16-33-35)18-9-12-34(13-10-18)26(36)24-4-2-3-11-32-24;1-17-16-31(11-12-32(17)25(34)26(29)9-3-4-10-26)21-7-5-19-15-30-33(24(19)14-21)18(2)22-8-6-20(27)13-23(22)28;1-16(19-6-4-17(26)13-21(19)27)33-24-14-18(5-7-20(24)23(15-28)30-33)31-9-11-32(12-10-31)25(34)22-3-2-8-29-22;1-16(21-7-5-18(26)11-22(21)27)32-24-12-19(6-4-17(24)13-29-32)30-9-10-31(20(14-30)15-33)25(34)23-3-2-8-28-23;1-16-15-30(10-11-31(16)25(33)23-4-3-9-28-23)20-7-5-18-14-29-32(24(18)13-20)17(2)21-8-6-19(26)12-22(21)27;1-16(20-7-5-18(25)13-21(20)26)31-23-14-19(6-4-17(23)15-28-31)29-9-11-30(12-10-29)24(32)22-3-2-8-27-22/h5-9,14-17,24,32H,2-4,10-13H2,1H3;5-8,13-15,17-18H,3-4,9-12,16,29H2,1-2H3;4-7,13-14,16,22,29H,2-3,8-12H2,1H3;4-7,11-13,16,20,23,28,33H,2-3,8-10,14-15H2,1H3;5-8,12-14,16-17,23,28H,3-4,9-11,15H2,1-2H3;4-7,13-16,22,27H,2-3,8-12H2,1H3/t17?,24-;17-,18?;16?,22-;16?,20-,23+;16-,17?,23-;16?,22-/m111011/s1
• InChIKey: RZEDNMRQMMRFMU-SVRHKEQTSA-N
• XLogP: 28.37
• TPSA: 375.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2976.21
LogP ≤ 5	28.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile?

The IUPAC name of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile (CID 160769902) is (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile.

What is the SMILES notation for (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile?

The canonical SMILES for (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile is CC(c1ccc(Cl)cc1C(F)(F)F)n1ncc2ccc(C3=CCN(C(=O)[C@H]4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)C4(N)CCCC4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](CO)C3)cc21.

What is the InChIKey of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile?

The InChIKey is RZEDNMRQMMRFMU-SVRHKEQTSA-N. The full InChI is InChI=1S/C27H28ClF3N4O.C26H31Cl2N5O.C25H26Cl2N6O.C25H29Cl2N5O2.C25H29Cl2N5O.C24H27Cl2N5O/c1-17(22-8-7-21(28)15-23(22)27(29,30)31)35-25-14-19(5-6-20(25)16-33-35)18-9-12-34(13-10-18)26(36)24-4-2-3-11-32-24;1-17-16-31(11-12-32(17)25(34)26(29)9-3-4-10-26)21-7-5-19-15-30-33(24(19)14-21)18(2)22-8-6-20(27)13-23(22)28;1-16(19-6-4-17(26)13-21(19)27)33-24-14-18(5-7-20(24)23(15-28)30-33)31-9-11-32(12-10-31)25(34)22-3-2-8-29-22;1-16(21-7-5-18(26)11-22(21)27)32-24-12-19(6-4-17(24)13-29-32)30-9-10-31(20(14-30)15-33)25(34)23-3-2-8-28-23;1-16-15-30(10-11-31(16)25(33)23-4-3-9-28-23)20-7-5-18-14-29-32(24(18)13-20)17(2)21-8-6-19(26)12-22(21)27;1-16(20-7-5-18(25)13-21(20)26)31-23-14-19(6-4-17(23)15-28-31)29-9-11-30(12-10-29)24(32)22-3-2-8-27-22/h5-9,14-17,24,32H,2-4,10-13H2,1H3;5-8,13-15,17-18H,3-4,9-12,16,29H2,1-2H3;4-7,13-14,16,22,29H,2-3,8-12H2,1H3;4-7,11-13,16,20,23,28,33H,2-3,8-10,14-15H2,1H3;5-8,12-14,16-17,23,28H,3-4,9-11,15H2,1-2H3;4-7,13-16,22,27H,2-3,8-12H2,1H3/t17?,24-;17-,18?;16?,22-;16?,20-,23+;16-,17?,23-;16?,22-/m111011/s1.

What are the key properties of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile?

(1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile has a molecular weight of 2976.21 g/mol, XLogP of 28.37, 25 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(2S)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]indazole-3-carbonitrile is sourced from PubChem (CID 160769902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).