2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

C222H208BrCl7F2N14O9S11 — CID 158858332

About 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (PubChem CID 158858332) has the molecular formula C222H208BrCl7F2N14O9S11 and a molecular weight of 3935.00 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
• PubChem CID: 158858332
• Molecular Formula: C222H208BrCl7F2N14O9S11
• Molecular Weight: 3935.00 g/mol
• Exact Mass: 3927.01
• IUPAC Name: 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
• SMILES: COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)ccc2n1.COc1ccc2cc(C)cnc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1cnc2cc(C)ccc2c1.COc1cnc2cc(C)sc2c1.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(C)nc1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(C)ccc2c1
• InChI: InChI=1S/C12H12O.C11H9Br.C11H9Cl.3C11H11NO.C11H11N.C10H11NO.C10H10OS.C10H10O.C10H10S.3C9H8ClN.C9H7ClS2.C9H7ClS.C9H7FS.2C9H9NOS.C9H9NS.C8H6ClNS.C8H6FNS.C7H9N/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-5-10-9(7-8)4-6-11(12-10)13-2;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-8-3-4-9-6-10(13-2)7-12-11(9)5-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-6-3-4-8-5-7(2)11-9(8)10-6;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-7(2)8-5-6/h3-8H,1-2H3;2*2-7H,1H3;3*3-7H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;3*2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2*3-5H,1-2H3;3-5H,1-2H3;2*2-4H,1H3;3-5H,1-2H3
• InChIKey: JAIOMPFPBINVJT-UHFFFAOYSA-N
• XLogP: 70.53
• TPSA: 279.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 9
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3935.00
LogP ≤ 5	70.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

The IUPAC name of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (CID 158858332) is 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.

What is the SMILES notation for 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

The canonical SMILES for 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)ccc2n1.COc1ccc2cc(C)cnc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1cnc2cc(C)ccc2c1.COc1cnc2cc(C)sc2c1.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(C)nc1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(C)ccc2c1.

What is the InChIKey of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

The InChIKey is JAIOMPFPBINVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C11H9Br.C11H9Cl.3C11H11NO.C11H11N.C10H11NO.C10H10OS.C10H10O.C10H10S.3C9H8ClN.C9H7ClS2.C9H7ClS.C9H7FS.2C9H9NOS.C9H9NS.C8H6ClNS.C8H6FNS.C7H9N/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-5-10-9(7-8)4-6-11(12-10)13-2;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-8-3-4-9-6-10(13-2)7-12-11(9)5-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-6-3-4-8-5-7(2)11-9(8)10-6;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-7(2)8-5-6/h3-8H,1-2H3;2*2-7H,1H3;3*3-7H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;3*2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2*3-5H,1-2H3;3-5H,1-2H3;2*2-4H,1H3;3-5H,1-2H3.

What are the key properties of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine has a molecular weight of 3935.00 g/mol, XLogP of 70.53, 9 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-6-methylquinoline;3-methoxy-7-methylquinoline;7-methoxy-3-methylquinoline;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 158858332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).