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- ChemComp-CQL: 5-chloro-7-iodoquinolin-8-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: CQL
NameName: 5-chloro-7-iodoquinolin-8-ol / Synonyms: Clioquinol
Commentantifungal*YM

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Chemical information

Composition
Formula: C9H5ClINO / Number of atoms: 18 / Formula weight: 305.5 / Formal charge: 0
Others

3kcx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CQL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KCX
History
Create componentOct 28, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / NMRShiftDB / Nikkaji / 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

ACDLabs 11.02Ic1c(O)c2ncccc2c(Cl)c1
CACTVS 3.352Oc1c(I)cc(Cl)c2cccnc12
OpenEye OEToolkits 1.7.0c1cc2c(cc(c(c2nc1)O)I)Cl

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SMILES CANONICAL

CACTVS 3.352Oc1c(I)cc(Cl)c2cccnc12
OpenEye OEToolkits 1.7.0c1cc2c(cc(c(c2nc1)O)I)Cl

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InChI

InChI 1.03InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

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InChIKey

InChI 1.03QCDFBFJGMNKBDO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 11.025-chloro-7-iodoquinolin-8-ol
OpenEye OEToolkits 1.6.15-chloro-7-iodo-quinolin-8-ol

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PDB entries

Showing all 1 items

PDB-3kcx:
Factor inhibiting HIF-1 alpha in complex with Clioquinol

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