2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole

C140H158F6N32O2 — CID 160964279

IUPAC2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
SMILESC(=N/c1ccccc1)\c1cccc(/C=N/c2ccccc2)n1.C/C(=N\C1CCCCC1)c1cccc(/C(C)=N/C2CCCCC2)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.C/C(=N\c1ccccc1C)c1cccc(/C(C)=N/c2ccccc2C)n1.Cc1cc(C)n(CCOCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1.Cc1nc(C)n(Cc2cccc(Cn3nc(C)nc3C)n2)n1.c1cnn(CCOCCn2cccn2)c1
InChIInChI=1S/C23H23N3.C21H31N3.C21H19N3.C19H15N3.C17H15F6N5.C15H19N7.C14H22N4O.C10H14N4O/c1-16-10-5-7-12-20(16)24-18(3)22-14-9-15-23(26-22)19(4)25-21-13-8-6-11-17(21)2;2*1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17;1-10-6-11(2)27(25-10)8-12-4-3-5-13(24-12)9-28-15(17(21,22)23)7-14(26-28)16(18,19)20;1-10-16-12(3)21(19-10)8-14-6-5-7-15(18-14)9-22-13(4)17-11(2)20-22;1-11-9-13(3)17(15-11)5-7-19-8-6-18-14(4)10-12(2)16-18;1-3-11-13(5-1)7-9-15-10-8-14-6-2-4-12-14/h5-15H,1-4H3;9,14-15,18-19H,3-8,10-13H2,1-2H3;3-15H,1-2H3;1-15H;3-7H,8-9H2,1-2H3;5-7H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;1-6H,7-10H2/b24-18+,25-19+;2*22-16+,23-17+;20-14+,21-15+;;;;
InChIKeySXKGZCHDJVFRII-WVMQSGHTSA-N
MW2435.01 g/mol
LogP29.94
Rot. Bonds36

About 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole

2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole (PubChem CID 160964279) has the molecular formula C140H158F6N32O2 and a molecular weight of 2435.01 g/mol. Its IUPAC name is 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole.

Molecular Properties

Compound Name2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
PubChem CID160964279
Molecular FormulaC140H158F6N32O2
Molecular Weight2435.01 g/mol
Exact Mass2433.31
IUPAC Name2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
SMILESC(=N/c1ccccc1)\c1cccc(/C=N/c2ccccc2)n1.C/C(=N\C1CCCCC1)c1cccc(/C(C)=N/C2CCCCC2)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.C/C(=N\c1ccccc1C)c1cccc(/C(C)=N/c2ccccc2C)n1.Cc1cc(C)n(CCOCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1.Cc1nc(C)n(Cc2cccc(Cn3nc(C)nc3C)n2)n1.c1cnn(CCOCCn2cccn2)c1
InChIInChI=1S/C23H23N3.C21H31N3.C21H19N3.C19H15N3.C17H15F6N5.C15H19N7.C14H22N4O.C10H14N4O/c1-16-10-5-7-12-20(16)24-18(3)22-14-9-15-23(26-22)19(4)25-21-13-8-6-11-17(21)2;2*1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17;1-10-6-11(2)27(25-10)8-12-4-3-5-13(24-12)9-28-15(17(21,22)23)7-14(26-28)16(18,19)20;1-10-16-12(3)21(19-10)8-14-6-5-7-15(18-14)9-22-13(4)17-11(2)20-22;1-11-9-13(3)17(15-11)5-7-19-8-6-18-14(4)10-12(2)16-18;1-3-11-13(5-1)7-9-15-10-8-14-6-2-4-12-14/h5-15H,1-4H3;9,14-15,18-19H,3-8,10-13H2,1-2H3;3-15H,1-2H3;1-15H;3-7H,8-9H2,1-2H3;5-7H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;1-6H,7-10H2/b24-18+,25-19+;2*22-16+,23-17+;20-14+,21-15+;;;;
InChIKeySXKGZCHDJVFRII-WVMQSGHTSA-N
XLogP29.94
TPSA363.02 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002435.01
LogP ≤ 529.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
The IUPAC name of 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole (CID 160964279) is 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole.
What is the SMILES notation for 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
The canonical SMILES for 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole is C(=N/c1ccccc1)\c1cccc(/C=N/c2ccccc2)n1.C/C(=N\C1CCCCC1)c1cccc(/C(C)=N/C2CCCCC2)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.C/C(=N\c1ccccc1C)c1cccc(/C(C)=N/c2ccccc2C)n1.Cc1cc(C)n(CCOCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1.Cc1nc(C)n(Cc2cccc(Cn3nc(C)nc3C)n2)n1.c1cnn(CCOCCn2cccn2)c1.
What is the InChIKey of 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
The InChIKey is SXKGZCHDJVFRII-WVMQSGHTSA-N. The full InChI is InChI=1S/C23H23N3.C21H31N3.C21H19N3.C19H15N3.C17H15F6N5.C15H19N7.C14H22N4O.C10H14N4O/c1-16-10-5-7-12-20(16)24-18(3)22-14-9-15-23(26-22)19(4)25-21-13-8-6-11-17(21)2;2*1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17;1-10-6-11(2)27(25-10)8-12-4-3-5-13(24-12)9-28-15(17(21,22)23)7-14(26-28)16(18,19)20;1-10-16-12(3)21(19-10)8-14-6-5-7-15(18-14)9-22-13(4)17-11(2)20-22;1-11-9-13(3)17(15-11)5-7-19-8-6-18-14(4)10-12(2)16-18;1-3-11-13(5-1)7-9-15-10-8-14-6-2-4-12-14/h5-15H,1-4H3;9,14-15,18-19H,3-8,10-13H2,1-2H3;3-15H,1-2H3;1-15H;3-7H,8-9H2,1-2H3;5-7H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;1-6H,7-10H2/b24-18+,25-19+;2*22-16+,23-17+;20-14+,21-15+;;;;.
What are the key properties of 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole has a molecular weight of 2435.01 g/mol, XLogP of 29.94, 36 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole is sourced from PubChem (CID 160964279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).