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- ChemComp-QM7: 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{... -

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Basic information

EntryDatabase: PDB chemical components / ID: QM7
NameName: 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide

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Chemical information

Composition
Formula: C22H26N4O4 / Number of atoms: 56 / Formula weight: 410.466 / Formal charge: 0
Others

8bhr

Type: non-polymer / PDB classification: HETAIN / Three letter code: QM7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BHR
History
Create componentNov 9, 2022
Initial releaseNov 1, 2023
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 3.385CCC[CH](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1
OpenEye OEToolkits 3.1.0.0CCCC(CO)NC(=O)c1ccc(nc1)OCc2c(onc2c3ccc(nc3)C)C

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SMILES CANONICAL

CACTVS 3.385CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1
OpenEye OEToolkits 3.1.0.0CCC[C@@H](CO)NC(=O)c1ccc(nc1)OCc2c(onc2c3ccc(nc3)C)C

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InChI

InChI 1.06InChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1

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InChIKey

InChI 1.06QMARBOVOPHNZOR-SFHVURJKSA-N

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PDB entries

Showing all 1 items

PDB-8bhr:
GABA-A receptor a5 homomer - a5V3 - RO7015738

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