2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C95H75ClF6N26 — CID 158788400

IUPAC2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3cc(F)cc(F)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc(F)c(Cl)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C#N)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C(C)C)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H21N5.C19H14F3N5.C19H14N6.C18H13ClFN5.C18H13F2N5/c1-13(2)15-7-6-8-16(12-15)20-22-18-10-5-4-9-17(18)21(24-20)23-19-11-14(3)25-26-19;1-11-9-16(27-26-11)24-18-14-7-2-3-8-15(14)23-17(25-18)12-5-4-6-13(10-12)19(20,21)22;1-12-9-17(25-24-12)22-19-15-7-2-3-8-16(15)21-18(23-19)14-6-4-5-13(10-14)11-20;1-10-8-16(25-24-10)22-18-12-4-2-3-5-15(12)21-17(23-18)11-6-7-14(20)13(19)9-11;1-10-6-16(25-24-10)22-18-14-4-2-3-5-15(14)21-17(23-18)11-7-12(19)9-13(20)8-11/h4-13H,1-3H3,(H2,22,23,24,25,26);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,21,22,23,24,25);2*2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyIRYVCCMWBPIFNV-UHFFFAOYSA-N
MW1730.27 g/mol
LogP23.44
Rot. Bonds16

About 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 158788400) has the molecular formula C95H75ClF6N26 and a molecular weight of 1730.27 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID158788400
Molecular FormulaC95H75ClF6N26
Molecular Weight1730.27 g/mol
Exact Mass1728.63
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3cc(F)cc(F)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc(F)c(Cl)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C#N)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C(C)C)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H21N5.C19H14F3N5.C19H14N6.C18H13ClFN5.C18H13F2N5/c1-13(2)15-7-6-8-16(12-15)20-22-18-10-5-4-9-17(18)21(24-20)23-19-11-14(3)25-26-19;1-11-9-16(27-26-11)24-18-14-7-2-3-8-15(14)23-17(25-18)12-5-4-6-13(10-12)19(20,21)22;1-12-9-17(25-24-12)22-19-15-7-2-3-8-16(15)21-18(23-19)14-6-4-5-13(10-14)11-20;1-10-8-16(25-24-10)22-18-12-4-2-3-5-15(12)21-17(23-18)11-6-7-14(20)13(19)9-11;1-10-6-16(25-24-10)22-18-14-4-2-3-5-15(14)21-17(23-18)11-7-12(19)9-13(20)8-11/h4-13H,1-3H3,(H2,22,23,24,25,26);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,21,22,23,24,25);2*2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyIRYVCCMWBPIFNV-UHFFFAOYSA-N
XLogP23.44
TPSA356.24 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001730.27
LogP ≤ 523.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-1H-indazol-3-amine;N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;5,7-difluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 157322578
3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
CID 157482676
N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-5,7-difluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine
CID 157768311
N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2-chlorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2-chlorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 157974937
2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 158012971
N-[2-(2-chlorophenyl)-6-methyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-1H-indazol-3-amine;5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
CID 158117055
2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 158146145
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methyl-2-(4-methylphenyl)pyrimidin-4-amine;5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
CID 158352473
N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine
CID 158746811
2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine;N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-4-amine
CID 159076334
N-(5,7-difluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(1H-indazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
CID 159196956
8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159203965

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 158788400) is 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is Cc1cc(Nc2nc(-c3cc(F)cc(F)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc(F)c(Cl)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C#N)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C(C)C)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is IRYVCCMWBPIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.C19H14F3N5.C19H14N6.C18H13ClFN5.C18H13F2N5/c1-13(2)15-7-6-8-16(12-15)20-22-18-10-5-4-9-17(18)21(24-20)23-19-11-14(3)25-26-19;1-11-9-16(27-26-11)24-18-14-7-2-3-8-15(14)23-17(25-18)12-5-4-6-13(10-12)19(20,21)22;1-12-9-17(25-24-12)22-19-15-7-2-3-8-16(15)21-18(23-19)14-6-4-5-13(10-14)11-20;1-10-8-16(25-24-10)22-18-12-4-2-3-5-15(12)21-17(23-18)11-6-7-14(20)13(19)9-11;1-10-6-16(25-24-10)22-18-14-4-2-3-5-15(14)21-17(23-18)11-7-12(19)9-13(20)8-11/h4-13H,1-3H3,(H2,22,23,24,25,26);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,21,22,23,24,25);2*2-9H,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 1730.27 g/mol, XLogP of 23.44, 16 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 158788400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).