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- ChemComp-N24: (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolid... -

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Basic information

EntryDatabase: PDB chemical components / ID: N24
NameName: (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one

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Chemical information

Composition
Formula: C15H11BrClNO2S / Number of atoms: 32 / Formula weight: 384.675 / Formal charge: 0
Others

3dxm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: N24 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3DXM
History
Create componentJul 31, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / 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 10.04Clc3cc(N2C(=O)CSC2c1cc(Br)ccc1)c(O)cc3
CACTVS 3.341Oc1ccc(Cl)cc1N2[CH](SCC2=O)c3cccc(Br)c3
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Br)C2N(C(=O)CS2)c3cc(ccc3O)Cl

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SMILES CANONICAL

CACTVS 3.341Oc1ccc(Cl)cc1N2[C@@H](SCC2=O)c3cccc(Br)c3
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl

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InChI

InChI 1.03InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1

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InChIKey

InChI 1.03KEGQNJITMFBVAC-HNNXBMFYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
OpenEye OEToolkits 1.5.0(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxy-phenyl)-1,3-thiazolidin-4-one

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PDB entries

Showing all 1 items

PDB-3dxm:
Structure of Bos taurus Arp2/3 Complex with Bound Inhibitor CK0993548

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