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- ChemComp-N4Q: 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine -

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Basic information

EntryDatabase: PDB chemical components / ID: N4Q
NameName: 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

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Chemical information

Composition
Formula: C22H20N2O3 / Number of atoms: 47 / Formula weight: 360.406 / Formal charge: 0
Others

6te5

Type: non-polymer / PDB classification: HETAIN / Three letter code: N4Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TE5
History
Create componentNov 11, 2019
Initial releaseNov 18, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(OC)cc(OC)c4
OpenEye OEToolkits 2.0.7COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(OC)cc(OC)c4
OpenEye OEToolkits 2.0.7COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC

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InChI

InChI 1.03InChI=1S/C22H20N2O3/c1-25-18-7-4-15(5-8-18)21-14-24-13-16(6-9-22(24)23-21)17-10-19(26-2)12-20(11-17)27-3/h4-14H,1-3H3

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InChIKey

InChI 1.03IHJONSSVOHRQHD-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6te5:
Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with LQ43 inhibitor compound

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