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- ChemComp-5Q0: quinolin-5-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: 5Q0
NameName: quinolin-5-ol

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Chemical information

Composition
Formula: C9H7NO / Number of atoms: 18 / Formula weight: 145.158 / Formal charge: 0
Others

5em3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5Q0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EM3
History
Create componentNov 7, 2015
Initial releaseJun 8, 2016
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 3.385Oc1cccc2ncccc12
OpenEye OEToolkits 2.0.4c1cc2c(cccn2)c(c1)O

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SMILES CANONICAL

CACTVS 3.385Oc1cccc2ncccc12
OpenEye OEToolkits 2.0.4c1cc2c(cccn2)c(c1)O

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InChI

InChI 1.03InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H

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InChIKey

InChI 1.03GYESAYHWISMZOK-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.4quinolin-5-ol

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PDB entries

Showing all 1 items

PDB-5em3:
Crystal structure of the human BRPF1 bromodomain in complex with SEED9

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