N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide

C105H113F2N15O35S5 — CID 165041296

IUPACN-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide
SMILESCCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC
InChIInChI=1S/2C21H22FN3O7S.3C21H23N3O7S/c2*1-5-32-19-16(31-3)9-8-13(24-19)15(10-33(4,29)30)25-20(27)17-12(22)6-7-14(23-11(2)26)18(17)21(25)28;3*1-5-31-19-17(30-3)10-9-14(23-19)16(11-32(4,28)29)24-20(26)13-7-6-8-15(22-12(2)25)18(13)21(24)27/h2*6-9,15H,5,10H2,1-4H3,(H,23,26);3*6-10,16H,5,11H2,1-4H3,(H,22,25)/t15-;;2*16-;/m1.10./s1
InChIKeyOEBGTZPQOIABBU-KSSSOXHZSA-N
MW2343.46 g/mol
LogP9.42
Rot. Bonds40

About N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide

N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 165041296) has the molecular formula C105H113F2N15O35S5 and a molecular weight of 2343.46 g/mol. Its IUPAC name is N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID165041296
Molecular FormulaC105H113F2N15O35S5
Molecular Weight2343.46 g/mol
Exact Mass2341.61
IUPAC NameN-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide
SMILESCCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC
InChIInChI=1S/2C21H22FN3O7S.3C21H23N3O7S/c2*1-5-32-19-16(31-3)9-8-13(24-19)15(10-33(4,29)30)25-20(27)17-12(22)6-7-14(23-11(2)26)18(17)21(25)28;3*1-5-31-19-17(30-3)10-9-14(23-19)16(11-32(4,28)29)24-20(26)13-7-6-8-15(22-12(2)25)18(13)21(24)27/h2*6-9,15H,5,10H2,1-4H3,(H,23,26);3*6-10,16H,5,11H2,1-4H3,(H,22,25)/t15-;;2*16-;/m1.10./s1
InChIKeyOEBGTZPQOIABBU-KSSSOXHZSA-N
XLogP9.42
TPSA659.85 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds40
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002343.46
LogP ≤ 59.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide 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

N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide
CID 146403122
N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-hydroxyacetamide
CID 146403193
N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide
CID 161400710
N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-fluoro-1,3-dioxoisoindol-4-yl]acetamide
CID 146403127
N-[7-chloro-2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 146403145
4-amino-2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]isoindole-1,3-dione
CID 146403090
N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide
CID 156838524
N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide
CID 166810261
N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide
CID 156838393
2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfanylethyl]-4-(methylamino)isoindole-1,3-dione
CID 166810224
acetyl acetate;4-amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;methane;sulfane
CID 161488445
2-chloro-N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 18758373

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide (CID 165041296) is N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide is CCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1nc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.
What is the InChIKey of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is OEBGTZPQOIABBU-KSSSOXHZSA-N. The full InChI is InChI=1S/2C21H22FN3O7S.3C21H23N3O7S/c2*1-5-32-19-16(31-3)9-8-13(24-19)15(10-33(4,29)30)25-20(27)17-12(22)6-7-14(23-11(2)26)18(17)21(25)28;3*1-5-31-19-17(30-3)10-9-14(23-19)16(11-32(4,28)29)24-20(26)13-7-6-8-15(22-12(2)25)18(13)21(24)27/h2*6-9,15H,5,10H2,1-4H3,(H,23,26);3*6-10,16H,5,11H2,1-4H3,(H,22,25)/t15-;;2*16-;/m1.10./s1.
What are the key properties of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide?
N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 2343.46 g/mol, XLogP of 9.42, 40 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 165041296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).