2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione

C85H65Cl5N12O5+2 — CID 159420689

IUPAC2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione
SMILESCC(N)c1cc2cccc(Cl)c2c[n+]1-c1ccccc1.CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2nc1-c1ccccc1.CC(c1cc2cccc(Cl)c2c[n+]1-c1ccccc1)N1C(=O)c2ccccc2C1=O.CC(c1cc2cccc(Cl)c2nc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H18ClN2O2.C24H19ClN6O.C19H12Cl2N2O2.C17H16ClN2/c1-16(28-24(29)19-11-5-6-12-20(19)25(28)30)23-14-17-8-7-13-22(26)21(17)15-27(23)18-9-3-2-4-10-18;1-14(28-24(32)19-22(26)30-31-12-6-11-27-23(19)31)17-13-16-9-5-10-18(25)21(16)29-20(17)15-7-3-2-4-8-15;1-10(23-18(24)12-6-2-3-7-13(12)19(23)25)14-9-11-5-4-8-15(20)16(11)22-17(14)21;1-12(19)17-10-13-6-5-9-16(18)15(13)11-20(17)14-7-3-2-4-8-14/h2-16H,1H3;2-14H,1H3,(H2,26,30)(H,28,32);2-10H,1H3;2-12H,19H2,1H3/q+1;;;+1
InChIKeyFPZYATMESLJDRW-UHFFFAOYSA-N
MW1511.80 g/mol
LogP18.49
Rot. Bonds11

About 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione

2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 159420689) has the molecular formula C85H65Cl5N12O5+2 and a molecular weight of 1511.80 g/mol. Its IUPAC name is 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione
PubChem CID159420689
Molecular FormulaC85H65Cl5N12O5+2
Molecular Weight1511.80 g/mol
Exact Mass1508.36
IUPAC Name2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione
SMILESCC(N)c1cc2cccc(Cl)c2c[n+]1-c1ccccc1.CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2nc1-c1ccccc1.CC(c1cc2cccc(Cl)c2c[n+]1-c1ccccc1)N1C(=O)c2ccccc2C1=O.CC(c1cc2cccc(Cl)c2nc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H18ClN2O2.C24H19ClN6O.C19H12Cl2N2O2.C17H16ClN2/c1-16(28-24(29)19-11-5-6-12-20(19)25(28)30)23-14-17-8-7-13-22(26)21(17)15-27(23)18-9-3-2-4-10-18;1-14(28-24(32)19-22(26)30-31-12-6-11-27-23(19)31)17-13-16-9-5-10-18(25)21(16)29-20(17)15-7-3-2-4-8-15;1-10(23-18(24)12-6-2-3-7-13(12)19(23)25)14-9-11-5-4-8-15(20)16(11)22-17(14)21;1-12(19)17-10-13-6-5-9-16(18)15(13)11-20(17)14-7-3-2-4-8-14/h2-16H,1H3;2-14H,1H3,(H2,26,30)(H,28,32);2-10H,1H3;2-12H,19H2,1H3/q+1;;;+1
InChIKeyFPZYATMESLJDRW-UHFFFAOYSA-N
XLogP18.49
TPSA219.63 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.80
LogP ≤ 518.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2,6-diaminopyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 157252554
(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157421955
2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157455094
2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2,6-diaminopyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 157976733
3-[(1S)-1-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]ethyl]-2-(3-fluorophenyl)-8-(trifluoromethyl)isoquinolin-1-one;2-(3-fluorophenyl)-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(trifluoromethyl)isoquinolin-1-one;2-(3-fluorophenyl)-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]-8-(trifluoromethyl)isoquinolin-1-one;2-phenyl-3-[(1S)-1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]-8-(trifluoromethyl)isoquinolin-1-one
CID 158348344
N-[(1S)-1-[8-(cyclohexylamino)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methylpiperazin-1-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethylamino)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158680279
2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile;3-[(1S)-1-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 159094542
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 159361405
5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide
CID 159427942
N-[(1S)-1-[8-chloro-2-(3,4-difluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(trifluoromethyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159678309
(1S)-1-[8-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 161185097
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 161387062

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione (CID 159420689) is 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione is CC(N)c1cc2cccc(Cl)c2c[n+]1-c1ccccc1.CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2nc1-c1ccccc1.CC(c1cc2cccc(Cl)c2c[n+]1-c1ccccc1)N1C(=O)c2ccccc2C1=O.CC(c1cc2cccc(Cl)c2nc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is FPZYATMESLJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN2O2.C24H19ClN6O.C19H12Cl2N2O2.C17H16ClN2/c1-16(28-24(29)19-11-5-6-12-20(19)25(28)30)23-14-17-8-7-13-22(26)21(17)15-27(23)18-9-3-2-4-10-18;1-14(28-24(32)19-22(26)30-31-12-6-11-27-23(19)31)17-13-16-9-5-10-18(25)21(16)29-20(17)15-7-3-2-4-8-15;1-10(23-18(24)12-6-2-3-7-13(12)19(23)25)14-9-11-5-4-8-15(20)16(11)22-17(14)21;1-12(19)17-10-13-6-5-9-16(18)15(13)11-20(17)14-7-3-2-4-8-14/h2-16H,1H3;2-14H,1H3,(H2,26,30)(H,28,32);2-10H,1H3;2-12H,19H2,1H3/q+1;;;+1.
What are the key properties of 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione?
2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 1511.80 g/mol, XLogP of 18.49, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 159420689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).