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- ChemComp-1A5: 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 1A5
NameName: 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

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Chemical information

Composition
Formula: C10H10N2O3 / Number of atoms: 25 / Formula weight: 206.198 / Formal charge: 0
Others

4hxp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1A5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4HXP
History
Create componentNov 15, 2012
Initial releaseApr 3, 2013
External linksUniChem / ChemSpider / PubChem / 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

ACDLabs 12.01O=C(c2ccc(N1C(=O)OCC1)cc2)N
CACTVS 3.370NC(=O)c1ccc(cc1)N2CCOC2=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)N)N2CCOC2=O

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1ccc(cc1)N2CCOC2=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)N)N2CCOC2=O

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InChI

InChI 1.03InChI=1S/C10H10N2O3/c11-9(13)7-1-3-8(4-2-7)12-5-6-15-10(12)14/h1-4H,5-6H2,(H2,11,13)

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InChIKey

InChI 1.03JCCXXVVOGZSZPQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(2-oxo-1,3-oxazolidin-3-yl)benzamide
OpenEye OEToolkits 1.7.64-(2-oxidanylidene-1,3-oxazolidin-3-yl)benzamide

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PDB entries

Showing all 1 items

PDB-4hxp:
Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor

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