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- ChemComp-2Q0: (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sul... -

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Basic information

EntryDatabase: PDB chemical components / ID: 2Q0
NameName: (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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Chemical information

Composition
Formula: C14H15NO2S2 / Number of atoms: 34 / Formula weight: 293.404 / Formal charge: 0
Others

4o24

Type: non-polymer / PDB classification: HETAIN / Three letter code: 2Q0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4O24
History
Create componentDec 29, 2013
Initial releaseJan 15, 2014
Modify formulaFeb 12, 2020
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 3.385CC(C)CN1C(=S)SC(=Cc2ccc(O)cc2)C1=O
OpenEye OEToolkits 2.0.7CC(C)CN1C(=O)C(=Cc2ccc(cc2)O)SC1=S

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SMILES CANONICAL

CACTVS 3.385CC(C)CN1C(=S)SC(=C/c2ccc(O)cc2)\C1=O
OpenEye OEToolkits 2.0.7CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S

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InChI

InChI 1.03InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-

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InChIKey

InChI 1.03GPURHDUTZUYAFI-GHXNOFRVSA-N

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PDB entries

Showing all 1 items

PDB-4o24:
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities

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