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- ChemComp-OHK: ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,... -

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Basic information

EntryDatabase: PDB chemical components / ID: OHK
NameName: ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide

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Chemical information

Composition
Formula: C22H26N4O3 / Number of atoms: 55 / Formula weight: 394.467 / Formal charge: 0
Others

6y9s

Type: non-polymer / PDB classification: HETAIN / Three letter code: OHK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Y9S
History
Create componentMar 11, 2020
Initial releaseMay 20, 2020
External linksUniChem / ChemSpider / PubChem / 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 3.385CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4
OpenEye OEToolkits 2.0.7CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4

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SMILES CANONICAL

CACTVS 3.385CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4
OpenEye OEToolkits 2.0.7CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4

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InChI

InChI 1.03InChI=1S/C22H26N4O3/c1-15(2)29-20-9-18(11-23-13-20)17-3-4-19-12-24-21(26(19)14-17)22(27)25-10-16-5-7-28-8-6-16/h3-4,9,11-16H,5-8,10H2,1-2H3,(H,25,27)

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InChIKey

InChI 1.03HHJCFPYPXNXIIT-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6y9s:
Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16

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