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- ChemComp-T34: 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: T34
NameName: 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide

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Chemical information

Composition
Formula: C15H16N2O2 / Number of atoms: 35 / Formula weight: 256.3 / Formal charge: 0
Others

6hu2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: T34 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HU2
History
Create componentOct 8, 2018
Initial releaseOct 31, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / PubChem / 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 3.385Cc1ccc(cc1NCc2ccccc2)C(=O)NO
OpenEye OEToolkits 2.0.6Cc1ccc(cc1NCc2ccccc2)C(=O)NO

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(cc1NCc2ccccc2)C(=O)NO
OpenEye OEToolkits 2.0.6Cc1ccc(cc1NCc2ccccc2)C(=O)NO

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InChI

InChI 1.03InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)

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InChIKey

InChI 1.03PZBARTUEWCQNSN-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.64-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide

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PDB entries

Showing all 1 items

PDB-6hu2:
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11

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