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- ChemComp-HQI: N-(8-hydroxyquinolin-5-yl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: HQI
NameName: N-(8-hydroxyquinolin-5-yl)acetamide / Synonyms: 8-hydroxyquinoline

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Chemical information

Composition
Formula: C11H10N2O2 / Number of atoms: 25 / Formula weight: 202.209 / Formal charge: 0
Others

3l1m

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HQI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3L1M
History
Create componentJan 19, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 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 3.352CC(=O)Nc1ccc(O)c2ncccc12
OpenEye OEToolkits 1.7.0CC(=O)Nc1ccc(c2c1cccn2)O

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SMILES CANONICAL

CACTVS 3.352CC(=O)Nc1ccc(O)c2ncccc12
OpenEye OEToolkits 1.7.0CC(=O)Nc1ccc(c2c1cccn2)O

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InChI

InChI 1.03InChI=1S/C11H10N2O2/c1-7(14)13-9-4-5-10(15)11-8(9)3-2-6-12-11/h2-6,15H,1H3,(H,13,14)

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InChIKey

InChI 1.03YATHWKGKLIXEFF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-3l1m:
Crystal Structure of a Ni-directed Dimer of Cytochrome cb562 with a Quinolate-Histidine Hybrid Coordination Motif

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