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- ChemComp-B5H: (5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: B5H
NameName: (5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione

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Chemical information

Composition
Formula: C10H7BrN2O2 / Number of atoms: 22 / Formula weight: 267.079 / Formal charge: 0
Others

4d1c

Type: non-polymer / Three letter code: B5H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4D1C
History
Create componentMay 1, 2014
Initial releaseJul 2, 2014
External linksUniChem / ChemSpider / ChEMBL / 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

ACDLabs 12.01O=C2NC(=C\c1cc(Br)ccc1)/C(=O)N2
CACTVS 3.385Brc1cccc(c1)C=C2NC(=O)NC2=O
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Br)C=C2C(=O)NC(=O)N2

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SMILES CANONICAL

CACTVS 3.385Brc1cccc(c1)\C=C2/NC(=O)NC2=O
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2

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InChI

InChI 1.03InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-

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InChIKey

InChI 1.03CFJZPYYYXHXWSB-YVMONPNESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5Z)-5-(3-bromobenzylidene)imidazolidine-2,4-dione
OpenEye OEToolkits 1.7.6(5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-4d1c:
STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH bromovinylhydantoin bound.

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