1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid

C127H98F14N16O16 — CID 161444417

IUPAC1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
SMILESCC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.CC(c1ccccc1)n1ncc2cc(C(=O)O)ccc21.O=C(O)C1=CC2C=NN(Cc3cccc(C(F)(F)F)c3)C2C=C1.O=C(O)c1ccc2c(cnn2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2nn(Cc3ccc(C(F)(F)F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccccc3C(F)(F)F)cc2c1
InChIInChI=1S/2C16H11F3N2O2.C16H13F3N2O2.C16H11F3N2O2.C16H13FN2O2.2C16H14N2O2.C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-4-1-10(2-5-13)8-21-9-12-7-11(15(22)23)3-6-14(12)20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-4-2-1-3-11(13)8-21-9-12-7-10(15(22)23)5-6-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18/h1-8H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);1-8,12,14H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);1-6,9-10H,7-8H2,(H,20,21);2*2-11H,1H3,(H,19,20);1-7,9H,8H2,(H,19,20)
InChIKeyVZRYYBLPZJTBKR-UHFFFAOYSA-N
MW2370.25 g/mol
LogP27.20
Rot. Bonds25

About 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid

1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid (PubChem CID 161444417) has the molecular formula C127H98F14N16O16 and a molecular weight of 2370.25 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
PubChem CID161444417
Molecular FormulaC127H98F14N16O16
Molecular Weight2370.25 g/mol
Exact Mass2368.71
IUPAC Name1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
SMILESCC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.CC(c1ccccc1)n1ncc2cc(C(=O)O)ccc21.O=C(O)C1=CC2C=NN(Cc3cccc(C(F)(F)F)c3)C2C=C1.O=C(O)c1ccc2c(cnn2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2nn(Cc3ccc(C(F)(F)F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccccc3C(F)(F)F)cc2c1
InChIInChI=1S/2C16H11F3N2O2.C16H13F3N2O2.C16H11F3N2O2.C16H13FN2O2.2C16H14N2O2.C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-4-1-10(2-5-13)8-21-9-12-7-11(15(22)23)3-6-14(12)20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-4-2-1-3-11(13)8-21-9-12-7-10(15(22)23)5-6-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18/h1-8H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);1-8,12,14H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);1-6,9-10H,7-8H2,(H,20,21);2*2-11H,1H3,(H,19,20);1-7,9H,8H2,(H,19,20)
InChIKeyVZRYYBLPZJTBKR-UHFFFAOYSA-N
XLogP27.20
TPSA438.74 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.25
LogP ≤ 527.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid with MolForge

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Related Compounds

3-Fluoro-5-[[6-(1-methylindazol-6-yl)indazol-1-yl]methyl]benzoic acid
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2-Fluoro-5-[[6-(1-methylindazol-6-yl)indazol-1-yl]methyl]benzoic acid
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1-[[1-(2-Methylpropyl)-5-(trifluoromethyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
CID 118251574
1-[[5-Fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
CID 118251617
2-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]butyl]indazole-5-carboxylic acid
CID 141508255
1-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]butyl]indazole-5-carboxylic acid
CID 141508265
1-[[2-Fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 157156999
3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 157265888
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157275312
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 157552402
Bis(3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid);3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 157568205
1-bromo-3-(trifluoromethyl)benzene;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indole-5-carboxylic acid;1-[1-(3-methylphenyl)indol-5-yl]ethanone;trans-(1R,2R)-1,2-diethylcyclohexane;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone
CID 158303325

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid (CID 161444417) is 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid is CC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.CC(c1ccccc1)n1ncc2cc(C(=O)O)ccc21.O=C(O)C1=CC2C=NN(Cc3cccc(C(F)(F)F)c3)C2C=C1.O=C(O)c1ccc2c(cnn2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2nn(Cc3ccc(C(F)(F)F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccccc3C(F)(F)F)cc2c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
The InChIKey is VZRYYBLPZJTBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11F3N2O2.C16H13F3N2O2.C16H11F3N2O2.C16H13FN2O2.2C16H14N2O2.C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-4-1-10(2-5-13)8-21-9-12-7-11(15(22)23)3-6-14(12)20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-4-2-1-3-11(13)8-21-9-12-7-10(15(22)23)5-6-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18/h1-8H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);1-8,12,14H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);1-6,9-10H,7-8H2,(H,20,21);2*2-11H,1H3,(H,19,20);1-7,9H,8H2,(H,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid has a molecular weight of 2370.25 g/mol, XLogP of 27.20, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid is sourced from PubChem (CID 161444417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).