4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide

C86H61F26N15O10S5 — CID 160606048

IUPAC4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cc(F)c(F)cc2F)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cc(F)cc(F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ccc(F)c(F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cccc(C(F)(F)F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ccccc2F)cc1
InChIInChI=1S/C18H13F6N3O2S.C17H11F6N3O2S.2C17H12F5N3O2S.C17H13F4N3O2S/c19-17(20,21)13-3-1-2-11(8-13)9-27-10-15(18(22,23)24)26-16(27)12-4-6-14(7-5-12)30(25,28)29;18-12-6-14(20)13(19)5-10(12)7-26-8-15(17(21,22)23)25-16(26)9-1-3-11(4-2-9)29(24,27)28;18-13-6-1-10(7-14(13)19)8-25-9-15(17(20,21)22)24-16(25)11-2-4-12(5-3-11)28(23,26)27;18-12-5-10(6-13(19)7-12)8-25-9-15(17(20,21)22)24-16(25)11-1-3-14(4-2-11)28(23,26)27;18-14-4-2-1-3-12(14)9-24-10-15(17(19,20)21)23-16(24)11-5-7-13(8-6-11)27(22,25)26/h1-8,10H,9H2,(H2,25,28,29);1-6,8H,7H2,(H2,24,27,28);2*1-7,9H,8H2,(H2,23,26,27);1-8,10H,9H2,(H2,22,25,26)
InChIKeyREWNSGYXSZKAIJ-UHFFFAOYSA-N
MW2118.81 g/mol
LogP18.45
Rot. Bonds20

About 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide

4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide (PubChem CID 160606048) has the molecular formula C86H61F26N15O10S5 and a molecular weight of 2118.81 g/mol. Its IUPAC name is 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
PubChem CID160606048
Molecular FormulaC86H61F26N15O10S5
Molecular Weight2118.81 g/mol
Exact Mass2117.29
IUPAC Name4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cc(F)c(F)cc2F)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cc(F)cc(F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ccc(F)c(F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cccc(C(F)(F)F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ccccc2F)cc1
InChIInChI=1S/C18H13F6N3O2S.C17H11F6N3O2S.2C17H12F5N3O2S.C17H13F4N3O2S/c19-17(20,21)13-3-1-2-11(8-13)9-27-10-15(18(22,23)24)26-16(27)12-4-6-14(7-5-12)30(25,28)29;18-12-6-14(20)13(19)5-10(12)7-26-8-15(17(21,22)23)25-16(26)9-1-3-11(4-2-9)29(24,27)28;18-13-6-1-10(7-14(13)19)8-25-9-15(17(20,21)22)24-16(25)11-2-4-12(5-3-11)28(23,26)27;18-12-5-10(6-13(19)7-12)8-25-9-15(17(20,21)22)24-16(25)11-1-3-14(4-2-11)28(23,26)27;18-14-4-2-1-3-12(14)9-24-10-15(17(19,20)21)23-16(24)11-5-7-13(8-6-11)27(22,25)26/h1-8,10H,9H2,(H2,25,28,29);1-6,8H,7H2,(H2,24,27,28);2*1-7,9H,8H2,(H2,23,26,27);1-8,10H,9H2,(H2,22,25,26)
InChIKeyREWNSGYXSZKAIJ-UHFFFAOYSA-N
XLogP18.45
TPSA389.90 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.81
LogP ≤ 518.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide with MolForge

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Related Compounds

5-fluoro-1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 157323013
4-[4-[(4,4-Difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide
CID 159629776
1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 160886313
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
CID 161457176
4-[4-(1,1-difluoroethyl)anilino]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(2-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;N-methyl-4-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide;N-methyl-4-[(4-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 163685257
bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 163820109
2,5-difluoro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzenesulfonamide;4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzenesulfonamide;N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 158935790
4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 163455167
N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 163611887

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide (CID 160606048) is 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cc(F)c(F)cc2F)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cc(F)cc(F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ccc(F)c(F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2cccc(C(F)(F)F)c2)cc1.NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ccccc2F)cc1.
What is the InChIKey of 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
The InChIKey is REWNSGYXSZKAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N3O2S.C17H11F6N3O2S.2C17H12F5N3O2S.C17H13F4N3O2S/c19-17(20,21)13-3-1-2-11(8-13)9-27-10-15(18(22,23)24)26-16(27)12-4-6-14(7-5-12)30(25,28)29;18-12-6-14(20)13(19)5-10(12)7-26-8-15(17(21,22)23)25-16(26)9-1-3-11(4-2-9)29(24,27)28;18-13-6-1-10(7-14(13)19)8-25-9-15(17(20,21)22)24-16(25)11-2-4-12(5-3-11)28(23,26)27;18-12-5-10(6-13(19)7-12)8-25-9-15(17(20,21)22)24-16(25)11-1-3-14(4-2-11)28(23,26)27;18-14-4-2-1-3-12(14)9-24-10-15(17(19,20)21)23-16(24)11-5-7-13(8-6-11)27(22,25)26/h1-8,10H,9H2,(H2,25,28,29);1-6,8H,7H2,(H2,24,27,28);2*1-7,9H,8H2,(H2,23,26,27);1-8,10H,9H2,(H2,22,25,26).
What are the key properties of 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide has a molecular weight of 2118.81 g/mol, XLogP of 18.45, 20 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(3,5-difluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]benzenesulfonamide;4-[4-(trifluoromethyl)-1-[(2,4,5-trifluorophenyl)methyl]imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 160606048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).