(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C132H94Cl7F17N22O14 — CID 158539931

About (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 158539931) has the molecular formula C132H94Cl7F17N22O14 and a molecular weight of 2783.48 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
• PubChem CID: 158539931
• Molecular Formula: C132H94Cl7F17N22O14
• Molecular Weight: 2783.48 g/mol
• Exact Mass: 2778.49
• IUPAC Name: (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
• SMILES: O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cc(F)cc(F)c1.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)c(F)c1.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)c(F)c1F.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cccc(F)c1.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cccc(F)c1F.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccccc1F.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccncc1
• InChI: InChI=1S/C19H12ClF4N3O2.3C19H13ClF3N3O2.2C19H14ClF2N3O2.C18H15ClN4O2/c20-14-11(21)4-2-10-9(6-25-17(10)14)5-13-18(28)27(19(29)26-13)7-8-1-3-12(22)16(24)15(8)23;20-16-13(22)4-2-11-10(7-24-17(11)16)6-15-18(27)26(19(28)25-15)8-9-1-3-12(21)14(23)5-9;20-16-14(23)2-1-13-10(7-24-17(13)16)5-15-18(27)26(19(28)25-15)8-9-3-11(21)6-12(22)4-9;20-15-12(21)5-4-11-10(7-24-17(11)15)6-14-18(27)26(19(28)25-14)8-9-2-1-3-13(22)16(9)23;20-16-14(22)5-4-13-11(8-23-17(13)16)7-15-18(26)25(19(27)24-15)9-10-2-1-3-12(21)6-10;20-16-14(22)6-5-12-11(8-23-17(12)16)7-15-18(26)25(19(27)24-15)9-10-3-1-2-4-13(10)21;19-14-3-1-2-13-12(9-21-16(13)14)8-15-17(24)23(18(25)22-15)10-11-4-6-20-7-5-11/h1-4,6,13,25H,5,7H2,(H,26,29);1-5,7,15,24H,6,8H2,(H,25,28);1-4,6-7,15,24H,5,8H2,(H,25,28);1-5,7,14,24H,6,8H2,(H,25,28);2*1-6,8,15,23H,7,9H2,(H,24,27);1-7,9,15,21H,8,10H2,(H,22,25)/t13-;2*15-;14-;3*15-/m1111111/s1
• InChIKey: HOJWMCKCKHTMSA-AHSJXEIBSA-N
• XLogP: 26.15
• TPSA: 469.29 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2783.48
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 158539931) is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cc(F)cc(F)c1.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)c(F)c1.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)c(F)c1F.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cccc(F)c1.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cccc(F)c1F.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccccc1F.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccncc1.

What is the InChIKey of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?

The InChIKey is HOJWMCKCKHTMSA-AHSJXEIBSA-N. The full InChI is InChI=1S/C19H12ClF4N3O2.3C19H13ClF3N3O2.2C19H14ClF2N3O2.C18H15ClN4O2/c20-14-11(21)4-2-10-9(6-25-17(10)14)5-13-18(28)27(19(29)26-13)7-8-1-3-12(22)16(24)15(8)23;20-16-13(22)4-2-11-10(7-24-17(11)16)6-15-18(27)26(19(28)25-15)8-9-1-3-12(21)14(23)5-9;20-16-14(23)2-1-13-10(7-24-17(13)16)5-15-18(27)26(19(28)25-15)8-9-3-11(21)6-12(22)4-9;20-15-12(21)5-4-11-10(7-24-17(11)15)6-14-18(27)26(19(28)25-14)8-9-2-1-3-13(22)16(9)23;20-16-14(22)5-4-13-11(8-23-17(13)16)7-15-18(26)25(19(27)24-15)9-10-2-1-3-12(21)6-10;20-16-14(22)6-5-12-11(8-23-17(12)16)7-15-18(26)25(19(27)24-15)9-10-3-1-2-4-13(10)21;19-14-3-1-2-13-12(9-21-16(13)14)8-15-17(24)23(18(25)22-15)10-11-4-6-20-7-5-11/h1-4,6,13,25H,5,7H2,(H,26,29);1-5,7,15,24H,6,8H2,(H,25,28);1-4,6-7,15,24H,5,8H2,(H,25,28);1-5,7,14,24H,6,8H2,(H,25,28);2*1-6,8,15,23H,7,9H2,(H,24,27);1-7,9,15,21H,8,10H2,(H,22,25)/t13-;2*15-;14-;3*15-/m1111111/s1.

What are the key properties of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 2783.48 g/mol, XLogP of 26.15, 28 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158539931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).