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- ChemComp-8GK: ~{N}-oxidanylnaphthalene-1-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8GK
NameName: ~{N}-oxidanylnaphthalene-1-carboxamide

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Chemical information

Composition
Formula: C11H9NO2 / Number of atoms: 23 / Formula weight: 187.195 / Formal charge: 0
Others

5n1p

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8GK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N1P
History
Create componentFeb 6, 2017
Initial releaseFeb 21, 2018
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / 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

CACTVS 3.385ONC(=O)c1cccc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2C(=O)NO

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SMILES CANONICAL

CACTVS 3.385ONC(=O)c1cccc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2C(=O)NO

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InChI

InChI 1.03InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)

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InChIKey

InChI 1.03JRZGPWOEHDOVMC-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}-oxidanylnaphthalene-1-carboxamide

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PDB entries

Showing all 2 items

PDB-5n1p:
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with N-hydroxynaphthalene-1-carboxamide

PDB-8he4:
The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici

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