7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one

C112H118N24O11 — CID 158790017

IUPAC7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one
SMILESCCN1CCN(c2ccc3cc(-c4cn5cc(C)ncc5n4)oc(=O)c3c2)C[C@H]1C.Cc1cn2cc(-c3cc4ccc(N5CCC(N(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCC(O)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4c(=O)o3)nc2cn1.Cc1cn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4c(=O)o3)nc2cn1
InChIInChI=1S/C24H27N5O2.C23H25N5O2.C22H23N5O2.C22H22N4O3.C21H21N5O2/c1-15-13-29-14-21(26-23(29)16(2)25-15)22-11-17-5-6-19(12-20(17)24(30)31-22)28-9-7-18(8-10-28)27(3)4;1-4-26-7-8-27(13-16(26)3)18-6-5-17-9-21(30-23(29)19(17)10-18)20-14-28-12-15(2)24-11-22(28)25-20;1-14-11-27-13-19(24-21(27)10-23-14)20-8-16-4-5-17(9-18(16)22(28)29-20)26-7-6-25(3)15(2)12-26;1-13-11-26-12-19(24-21(26)14(2)23-13)20-9-15-3-4-16(10-18(15)22(28)29-20)25-7-5-17(27)6-8-25;1-13-10-25(6-5-22-13)16-4-3-15-7-19(28-21(27)17(15)8-16)18-12-26-11-14(2)23-9-20(26)24-18/h5-6,11-14,18H,7-10H2,1-4H3;5-6,9-12,14,16H,4,7-8,13H2,1-3H3;4-5,8-11,13,15H,6-7,12H2,1-3H3;3-4,9-12,17,27H,5-8H2,1-2H3;3-4,7-9,11-13,22H,5-6,10H2,1-2H3/t;16-;15-;;13-/m.11.1/s1
InChIKeyISDSBFXNYBQVFI-NMEZUEFISA-N
MW1976.33 g/mol
LogP15.63
Rot. Bonds12

About 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one

7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one (PubChem CID 158790017) has the molecular formula C112H118N24O11 and a molecular weight of 1976.33 g/mol. Its IUPAC name is 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one
PubChem CID158790017
Molecular FormulaC112H118N24O11
Molecular Weight1976.33 g/mol
Exact Mass1974.94
IUPAC Name7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one
SMILESCCN1CCN(c2ccc3cc(-c4cn5cc(C)ncc5n4)oc(=O)c3c2)C[C@H]1C.Cc1cn2cc(-c3cc4ccc(N5CCC(N(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCC(O)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4c(=O)o3)nc2cn1.Cc1cn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4c(=O)o3)nc2cn1
InChIInChI=1S/C24H27N5O2.C23H25N5O2.C22H23N5O2.C22H22N4O3.C21H21N5O2/c1-15-13-29-14-21(26-23(29)16(2)25-15)22-11-17-5-6-19(12-20(17)24(30)31-22)28-9-7-18(8-10-28)27(3)4;1-4-26-7-8-27(13-16(26)3)18-6-5-17-9-21(30-23(29)19(17)10-18)20-14-28-12-15(2)24-11-22(28)25-20;1-14-11-27-13-19(24-21(27)10-23-14)20-8-16-4-5-17(9-18(16)22(28)29-20)26-7-6-25(3)15(2)12-26;1-13-11-26-12-19(24-21(26)14(2)23-13)20-9-15-3-4-16(10-18(15)22(28)29-20)25-7-5-17(27)6-8-25;1-13-10-25(6-5-22-13)16-4-3-15-7-19(28-21(27)17(15)8-16)18-12-26-11-14(2)23-9-20(26)24-18/h5-6,11-14,18H,7-10H2,1-4H3;5-6,9-12,14,16H,4,7-8,13H2,1-3H3;4-5,8-11,13,15H,6-7,12H2,1-3H3;3-4,9-12,17,27H,5-8H2,1-2H3;3-4,7-9,11-13,22H,5-6,10H2,1-2H3/t;16-;15-;;13-/m.11.1/s1
InChIKeyISDSBFXNYBQVFI-NMEZUEFISA-N
XLogP15.63
TPSA360.18 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001976.33
LogP ≤ 515.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one with MolForge

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Related Compounds

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
CID 123602436
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147521
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 71679454
7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 123542864
3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147845
7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one
CID 158519833
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol
CID 130383095
7-[(3S)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 139460014
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one
CID 157477866
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
CID 123341802
7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123862457
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
CID 71679779

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one?
The IUPAC name of 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one (CID 158790017) is 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one.
What is the SMILES notation for 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one?
The canonical SMILES for 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one is CCN1CCN(c2ccc3cc(-c4cn5cc(C)ncc5n4)oc(=O)c3c2)C[C@H]1C.Cc1cn2cc(-c3cc4ccc(N5CCC(N(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCC(O)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4c(=O)o3)nc2cn1.Cc1cn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4c(=O)o3)nc2cn1.
What is the InChIKey of 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one?
The InChIKey is ISDSBFXNYBQVFI-NMEZUEFISA-N. The full InChI is InChI=1S/C24H27N5O2.C23H25N5O2.C22H23N5O2.C22H22N4O3.C21H21N5O2/c1-15-13-29-14-21(26-23(29)16(2)25-15)22-11-17-5-6-19(12-20(17)24(30)31-22)28-9-7-18(8-10-28)27(3)4;1-4-26-7-8-27(13-16(26)3)18-6-5-17-9-21(30-23(29)19(17)10-18)20-14-28-12-15(2)24-11-22(28)25-20;1-14-11-27-13-19(24-21(27)10-23-14)20-8-16-4-5-17(9-18(16)22(28)29-20)26-7-6-25(3)15(2)12-26;1-13-11-26-12-19(24-21(26)14(2)23-13)20-9-15-3-4-16(10-18(15)22(28)29-20)25-7-5-17(27)6-8-25;1-13-10-25(6-5-22-13)16-4-3-15-7-19(28-21(27)17(15)8-16)18-12-26-11-14(2)23-9-20(26)24-18/h5-6,11-14,18H,7-10H2,1-4H3;5-6,9-12,14,16H,4,7-8,13H2,1-3H3;4-5,8-11,13,15H,6-7,12H2,1-3H3;3-4,9-12,17,27H,5-8H2,1-2H3;3-4,7-9,11-13,22H,5-6,10H2,1-2H3/t;16-;15-;;13-/m.11.1/s1.
What are the key properties of 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one?
7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one has a molecular weight of 1976.33 g/mol, XLogP of 15.63, 12 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one is sourced from PubChem (CID 158790017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).