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- ChemComp-QJI: ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-c... -

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Basic information

EntryDatabase: PDB chemical components / ID: QJI
NameName: ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide

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Chemical information

Composition
Formula: C19H19ClN4O / Number of atoms: 44 / Formula weight: 354.833 / Formal charge: 0
Others

8bk0

Type: non-polymer / PDB classification: HETAIN / Three letter code: QJI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BK0
History
Create componentNov 8, 2022
Initial releaseNov 16, 2022
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 3.385Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl

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SMILES CANONICAL

CACTVS 3.385Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl

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InChI

InChI 1.06InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)

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InChIKey

InChI 1.06DGSMEFWSLXFLQA-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8bk0:
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904

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