6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one

C140H170N10O10 — CID 159062298

IUPAC6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C3CCCC3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCC3CCCCC3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCCc3ccccc3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCc3ccccc3)c(=O)[nH]2)cc1.CCCCCc1ccc(/C(=C/[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)[nH]c1=O
InChIInChI=1S/C30H34N2O2.C29H38N2O2.C29H32N2O2.C26H32N2O2.C26H34N2O2/c1-30(2,3)24-15-12-22(13-16-24)26(20-25-17-19-28(33)31-25)27-18-14-23(29(34)32-27)11-7-10-21-8-5-4-6-9-21;2*1-29(2,3)23-14-11-21(12-15-23)25(19-24-16-18-27(32)30-24)26-17-13-22(28(33)31-26)10-9-20-7-5-4-6-8-20;1-26(2,3)19-10-8-18(9-11-19)22(16-20-12-15-24(29)27-20)23-14-13-21(25(30)28-23)17-6-4-5-7-17;1-5-6-7-8-19-11-15-23(28-25(19)30)22(17-21-14-16-24(29)27-21)18-9-12-20(13-10-18)26(2,3)4/h4-6,8-9,12-16,18,20,25H,7,10-11,17,19H2,1-3H3,(H,31,33)(H,32,34);11-15,17,19-20,24H,4-10,16,18H2,1-3H3,(H,30,32)(H,31,33);4-8,11-15,17,19,24H,9-10,16,18H2,1-3H3,(H,30,32)(H,31,33);8-11,13-14,16-17,20H,4-7,12,15H2,1-3H3,(H,27,29)(H,28,30);9-13,15,17,21H,5-8,14,16H2,1-4H3,(H,27,29)(H,28,30)/b26-20+;2*25-19+;22-16+;22-17+/t25-;2*24-;20-;21-/m11111/s1
InChIKeyJYPVCOLJAINAFQ-HJYRRELBSA-N
MW2152.96 g/mol
LogP26.78
Rot. Bonds30

About 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one

6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one (PubChem CID 159062298) has the molecular formula C140H170N10O10 and a molecular weight of 2152.96 g/mol. Its IUPAC name is 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one
PubChem CID159062298
Molecular FormulaC140H170N10O10
Molecular Weight2152.96 g/mol
Exact Mass2151.31
IUPAC Name6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C3CCCC3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCC3CCCCC3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCCc3ccccc3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCc3ccccc3)c(=O)[nH]2)cc1.CCCCCc1ccc(/C(=C/[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)[nH]c1=O
InChIInChI=1S/C30H34N2O2.C29H38N2O2.C29H32N2O2.C26H32N2O2.C26H34N2O2/c1-30(2,3)24-15-12-22(13-16-24)26(20-25-17-19-28(33)31-25)27-18-14-23(29(34)32-27)11-7-10-21-8-5-4-6-9-21;2*1-29(2,3)23-14-11-21(12-15-23)25(19-24-16-18-27(32)30-24)26-17-13-22(28(33)31-26)10-9-20-7-5-4-6-8-20;1-26(2,3)19-10-8-18(9-11-19)22(16-20-12-15-24(29)27-20)23-14-13-21(25(30)28-23)17-6-4-5-7-17;1-5-6-7-8-19-11-15-23(28-25(19)30)22(17-21-14-16-24(29)27-21)18-9-12-20(13-10-18)26(2,3)4/h4-6,8-9,12-16,18,20,25H,7,10-11,17,19H2,1-3H3,(H,31,33)(H,32,34);11-15,17,19-20,24H,4-10,16,18H2,1-3H3,(H,30,32)(H,31,33);4-8,11-15,17,19,24H,9-10,16,18H2,1-3H3,(H,30,32)(H,31,33);8-11,13-14,16-17,20H,4-7,12,15H2,1-3H3,(H,27,29)(H,28,30);9-13,15,17,21H,5-8,14,16H2,1-4H3,(H,27,29)(H,28,30)/b26-20+;2*25-19+;22-16+;22-17+/t25-;2*24-;20-;21-/m11111/s1
InChIKeyJYPVCOLJAINAFQ-HJYRRELBSA-N
XLogP26.78
TPSA309.80 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002152.96
LogP ≤ 526.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one (CID 159062298) is 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one is CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C3CCCC3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCC3CCCCC3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCCc3ccccc3)c(=O)[nH]2)cc1.CC(C)(C)c1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(CCc3ccccc3)c(=O)[nH]2)cc1.CCCCCc1ccc(/C(=C/[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)[nH]c1=O.
What is the InChIKey of 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one?
The InChIKey is JYPVCOLJAINAFQ-HJYRRELBSA-N. The full InChI is InChI=1S/C30H34N2O2.C29H38N2O2.C29H32N2O2.C26H32N2O2.C26H34N2O2/c1-30(2,3)24-15-12-22(13-16-24)26(20-25-17-19-28(33)31-25)27-18-14-23(29(34)32-27)11-7-10-21-8-5-4-6-9-21;2*1-29(2,3)23-14-11-21(12-15-23)25(19-24-16-18-27(32)30-24)26-17-13-22(28(33)31-26)10-9-20-7-5-4-6-8-20;1-26(2,3)19-10-8-18(9-11-19)22(16-20-12-15-24(29)27-20)23-14-13-21(25(30)28-23)17-6-4-5-7-17;1-5-6-7-8-19-11-15-23(28-25(19)30)22(17-21-14-16-24(29)27-21)18-9-12-20(13-10-18)26(2,3)4/h4-6,8-9,12-16,18,20,25H,7,10-11,17,19H2,1-3H3,(H,31,33)(H,32,34);11-15,17,19-20,24H,4-10,16,18H2,1-3H3,(H,30,32)(H,31,33);4-8,11-15,17,19,24H,9-10,16,18H2,1-3H3,(H,30,32)(H,31,33);8-11,13-14,16-17,20H,4-7,12,15H2,1-3H3,(H,27,29)(H,28,30);9-13,15,17,21H,5-8,14,16H2,1-4H3,(H,27,29)(H,28,30)/b26-20+;2*25-19+;22-16+;22-17+/t25-;2*24-;20-;21-/m11111/s1.
What are the key properties of 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one?
6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one has a molecular weight of 2152.96 g/mol, XLogP of 26.78, 30 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-cyclohexylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-pentyl-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(2-phenylethyl)-1H-pyridin-2-one;6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-(3-phenylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 159062298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).