1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol

C157H151Cl6F10N17O15S — CID 158147838

About 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol

1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol (PubChem CID 158147838) has the molecular formula C157H151Cl6F10N17O15S and a molecular weight of 2950.80 g/mol. Its IUPAC name is 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol.

Molecular Properties

• Compound Name: 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol
• PubChem CID: 158147838
• Molecular Formula: C157H151Cl6F10N17O15S
• Molecular Weight: 2950.80 g/mol
• Exact Mass: 2945.93
• IUPAC Name: 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol
• SMILES: C#CC(O)(c1ccc2nc(OC)c(Cc3ccc(C(C)(F)F)cc3)c(Cl)c2c1)C1CN(C(C)=O)C1.C#CC(O)(c1ccc2nc(OC)c(Cc3ccc(C(C)(F)F)cc3)c(Cl)c2c1)c1cnc(C)n1C.CCC(O)(c1ccc2nc(OC)c(Cc3ccc(S(C)(=O)=O)cc3)c(Cl)c2c1)c1cncn1C.COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C28H27ClF2N2O2.C27H24ClF2N3O2.C27H25ClF2N2O3.C26H26ClF2N3O2.C25H26ClN3O4S.C24H23ClF2N4O2/c1-16-6-12-23(17(2)32-16)27(3,34)20-11-13-24-21(15-20)25(29)22(26(33-24)35-5)14-18-7-9-19(10-8-18)28(4,30)31;1-6-27(34,23-15-31-16(2)33(23)4)19-11-12-22-20(14-19)24(28)21(25(32-22)35-5)13-17-7-9-18(10-8-17)26(3,29)30;1-5-27(34,20-14-32(15-20)16(2)33)19-10-11-23-21(13-19)24(28)22(25(31-23)35-4)12-17-6-8-18(9-7-17)26(3,29)30;1-15-30-14-22(32(15)4)25(2,33)18-10-11-21-19(13-18)23(27)20(24(31-21)34-5)12-16-6-8-17(9-7-16)26(3,28)29;1-5-25(30,22-14-27-15-29(22)2)17-8-11-21-19(13-17)23(26)20(24(28-21)33-3)12-16-6-9-18(10-7-16)34(4,31)32;1-23(32,20-13-28-30-31(20)3)16-9-10-19-17(12-16)21(25)18(22(29-19)33-4)11-14-5-7-15(8-6-14)24(2,26)27/h6-13,15,34H,14H2,1-5H3;1,7-12,14-15,34H,13H2,2-5H3;1,6-11,13,20,34H,12,14-15H2,2-4H3;6-11,13-14,33H,12H2,1-5H3;6-11,13-15,30H,5,12H2,1-4H3;5-10,12-13,32H,11H2,1-4H3
• InChIKey: FUSSISBIKNJFKK-UHFFFAOYSA-N
• XLogP: 32.43
• TPSA: 405.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2950.80
LogP ≤ 5	32.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol?

The IUPAC name of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol (CID 158147838) is 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol.

What is the SMILES notation for 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol?

The canonical SMILES for 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol is C#CC(O)(c1ccc2nc(OC)c(Cc3ccc(C(C)(F)F)cc3)c(Cl)c2c1)C1CN(C(C)=O)C1.C#CC(O)(c1ccc2nc(OC)c(Cc3ccc(C(C)(F)F)cc3)c(Cl)c2c1)c1cnc(C)n1C.CCC(O)(c1ccc2nc(OC)c(Cc3ccc(S(C)(=O)=O)cc3)c(Cl)c2c1)c1cncn1C.COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.

What is the InChIKey of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol?

The InChIKey is FUSSISBIKNJFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClF2N2O2.C27H24ClF2N3O2.C27H25ClF2N2O3.C26H26ClF2N3O2.C25H26ClN3O4S.C24H23ClF2N4O2/c1-16-6-12-23(17(2)32-16)27(3,34)20-11-13-24-21(15-20)25(29)22(26(33-24)35-5)14-18-7-9-19(10-8-18)28(4,30)31;1-6-27(34,23-15-31-16(2)33(23)4)19-11-12-22-20(14-19)24(28)21(25(32-22)35-5)13-17-7-9-18(10-8-17)26(3,29)30;1-5-27(34,20-14-32(15-20)16(2)33)19-10-11-23-21(13-19)24(28)22(25(31-23)35-4)12-17-6-8-18(9-7-17)26(3,29)30;1-15-30-14-22(32(15)4)25(2,33)18-10-11-21-19(13-18)23(27)20(24(31-21)34-5)12-16-6-8-17(9-7-16)26(3,28)29;1-5-25(30,22-14-27-15-29(22)2)17-8-11-21-19(13-17)23(26)20(24(28-21)33-3)12-16-6-9-18(10-7-16)34(4,31)32;1-23(32,20-13-28-30-31(20)3)16-9-10-19-17(12-16)21(25)18(22(29-19)33-4)11-14-5-7-15(8-6-14)24(2,26)27/h6-13,15,34H,14H2,1-5H3;1,7-12,14-15,34H,13H2,2-5H3;1,6-11,13,20,34H,12,14-15H2,2-4H3;6-11,13-14,33H,12H2,1-5H3;6-11,13-15,30H,5,12H2,1-4H3;5-10,12-13,32H,11H2,1-4H3.

What are the key properties of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol?

1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol has a molecular weight of 2950.80 g/mol, XLogP of 32.43, 37 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)prop-2-yn-1-ol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)ethanol;1-[3-[1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidin-1-yl]ethanone;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 158147838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).