2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine

C71H72Cl8N16O2 — CID 159548988

IUPAC2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCCCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCOCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NCCO
InChIInChI=1S/C19H20Cl2N4.C18H18Cl2N4O.C18H18Cl2N4.C16H16Cl2N4O/c20-13-4-5-14(17(21)10-13)16-12-25-9-6-23-19(25)18(15(16)11-22)24-7-2-1-3-8-24;19-12-1-2-13(16(20)9-12)15-11-24-4-3-22-18(24)17(14(15)10-21)23-5-7-25-8-6-23;19-12-3-4-13(16(20)9-12)15-11-24-8-5-22-18(24)17(14(15)10-21)23-6-1-2-7-23;17-10-1-2-11(14(18)7-10)13-9-22-5-3-21-16(22)15(12(13)8-19)20-4-6-23/h4-6,9-10,12H,1-3,7-8,11,22H2;1-4,9,11H,5-8,10,21H2;3-5,8-9,11H,1-2,6-7,10,21H2;1-3,5,7,9,20,23H,4,6,8,19H2
InChIKeyMFDQOUMTSXYUPZ-UHFFFAOYSA-N
MW1465.09 g/mol
LogP15.90
Rot. Bonds14

About 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine

2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine (PubChem CID 159548988) has the molecular formula C71H72Cl8N16O2 and a molecular weight of 1465.09 g/mol. Its IUPAC name is 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine
PubChem CID159548988
Molecular FormulaC71H72Cl8N16O2
Molecular Weight1465.09 g/mol
Exact Mass1460.35
IUPAC Name2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCCCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCOCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NCCO
InChIInChI=1S/C19H20Cl2N4.C18H18Cl2N4O.C18H18Cl2N4.C16H16Cl2N4O/c20-13-4-5-14(17(21)10-13)16-12-25-9-6-23-19(25)18(15(16)11-22)24-7-2-1-3-8-24;19-12-1-2-13(16(20)9-12)15-11-24-4-3-22-18(24)17(14(15)10-21)23-5-7-25-8-6-23;19-12-3-4-13(16(20)9-12)15-11-24-8-5-22-18(24)17(14(15)10-21)23-6-1-2-7-23;17-10-1-2-11(14(18)7-10)13-9-22-5-3-21-16(22)15(12(13)8-19)20-4-6-23/h4-6,9-10,12H,1-3,7-8,11,22H2;1-4,9,11H,5-8,10,21H2;3-5,8-9,11H,1-2,6-7,10,21H2;1-3,5,7,9,20,23H,4,6,8,19H2
InChIKeyMFDQOUMTSXYUPZ-UHFFFAOYSA-N
XLogP15.90
TPSA224.49 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.09
LogP ≤ 515.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine with MolForge

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Related Compounds

[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157225219
[6-(2,4-dichlorophenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine;N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]ethanamine;1-[6-(2,4-dichlorophenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-methylmethanamine;N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]propan-2-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 157792965
7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-methylimidazo[1,2-a]pyridin-3-amine;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridin-3-amine;[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;1,1,1,4,4,4-hexafluorobutane-2,3-dione;dihydrochloride
CID 157869145
4-[7-(Aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
CID 158441068
[6-(2-Chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)
CID 160545390
5-amino-3-bromo-6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-7-carbonitrile;8-amino-6-(2-chlorophenyl)imidazo[1,2-a]pyridine-5,7-dicarbonitrile;5-(aminomethyl)-3-bromo-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine;5-(aminomethyl)-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine;3-bromo-6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5,7-dicarbonitrile;3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;3-bromo-6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazine-5,8-diamine;6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5,7-dicarbonitrile;6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine
CID 157183822
4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;[4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 157314057
tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid
CID 157325695
1-[4-[4-[7-(Aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
CID 157395200
(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 157403049
7-(aminomethyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-amine;2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine
CID 157498927
6-(2-chloro-4-methylphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2-chlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-(morpholin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(2-chlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2-chlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 157551325

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
The IUPAC name of 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine (CID 159548988) is 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine.
What is the SMILES notation for 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
The canonical SMILES for 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCCCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCOCC1.NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NCCO.
What is the InChIKey of 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
The InChIKey is MFDQOUMTSXYUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4.C18H18Cl2N4O.C18H18Cl2N4.C16H16Cl2N4O/c20-13-4-5-14(17(21)10-13)16-12-25-9-6-23-19(25)18(15(16)11-22)24-7-2-1-3-8-24;19-12-1-2-13(16(20)9-12)15-11-24-4-3-22-18(24)17(14(15)10-21)23-5-7-25-8-6-23;19-12-3-4-13(16(20)9-12)15-11-24-8-5-22-18(24)17(14(15)10-21)23-6-1-2-7-23;17-10-1-2-11(14(18)7-10)13-9-22-5-3-21-16(22)15(12(13)8-19)20-4-6-23/h4-6,9-10,12H,1-3,7-8,11,22H2;1-4,9,11H,5-8,10,21H2;3-5,8-9,11H,1-2,6-7,10,21H2;1-3,5,7,9,20,23H,4,6,8,19H2.
What are the key properties of 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine has a molecular weight of 1465.09 g/mol, XLogP of 15.90, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]ethanol;[6-(2,4-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 159548988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).