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- ChemComp-5OJ: 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-ox... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5OJ
NameName: 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide
Synonyms: HPOB

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Chemical information

Composition
Formula: C17H18N2O4 / Number of atoms: 41 / Formula weight: 314.336 / Formal charge: 0
Others

5ef7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5OJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EF7
History
Create componentOct 29, 2015
Initial releaseJul 27, 2016
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / 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 3.385OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2
OpenEye OEToolkits 2.0.4c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO

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SMILES CANONICAL

CACTVS 3.385OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2
OpenEye OEToolkits 2.0.4c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO

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InChI

InChI 1.03InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)

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InChIKey

InChI 1.03RFAZNTABYJYOAR-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5ef7:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPOB

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