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- ChemComp-GQZ: ~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: GQZ
NameName: ~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide

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Chemical information

Composition
Formula: C14H12N2O3 / Number of atoms: 31 / Formula weight: 256.257 / Formal charge: 0
Others

6htt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GQZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HTT
History
Create componentOct 4, 2018
Initial releaseOct 31, 2018
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / PubChem / 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)c1cccc(c1)C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO

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SMILES CANONICAL

CACTVS 3.385ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO

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InChI

InChI 1.03InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)

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InChIKey

InChI 1.03NXHPVXNYPQJIOB-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide

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PDB entries

Showing all 1 items

PDB-6htt:
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7

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