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- ChemComp-W3Y: (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: W3Y
NameName: (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

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Chemical information

Composition
Formula: C10H9ClN2O2 / Number of atoms: 24 / Formula weight: 224.644 / Formal charge: 0
Others

5rs4
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: W3Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RS4
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
External linksUniChem / ChemSpider / 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

ACDLabs 12.01N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O
CACTVS 3.385C[CH]1N(C(=O)NC1=O)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7CC1C(=O)NC(=O)N1c2ccc(cc2)Cl

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SMILES CANONICAL

CACTVS 3.385C[C@@H]1N(C(=O)NC1=O)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl

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InChI

InChI 1.03InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1

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InChIKey

InChI 1.03YRTFBBSKIRZNAW-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
OpenEye OEToolkits 2.0.7(5~{S})-1-(4-chlorophenyl)-5-methyl-imidazolidine-2,4-dione

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PDB entries

Showing all 2 items

PDB-5s4i:
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