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- ChemComp-O9L: 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline -

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Basic information

EntryDatabase: PDB chemical components / ID: O9L
NameName: 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline

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Chemical information

Composition
Formula: C18H15N5OS / Number of atoms: 40 / Formula weight: 349.41 / Formal charge: 0
Others

8av1

Type: non-polymer / PDB classification: HETAIN / Three letter code: O9L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AV1
History
Create componentAug 31, 2022
Initial releaseApr 19, 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 3.385C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5
OpenEye OEToolkits 3.1.0.0c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCSCC5

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SMILES CANONICAL

CACTVS 3.385C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5
OpenEye OEToolkits 3.1.0.0c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCSCC5

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InChI

InChI 1.06InChI=1S/C18H15N5OS/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)24-18)22-15(11-20-13)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2

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InChIKey

InChI 1.06ZJBIEWDRPAVJAY-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8av1:
Crystal structure of GSK3 beta (GSK3b) in complex with CD7.

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