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- ChemComp-FF2: 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: FF2
NameName: 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide

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Chemical information

Composition
Formula: C9H6ClNO2S / Number of atoms: 20 / Formula weight: 227.667 / Formal charge: 0
Others

6gx3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FF2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6GX3
History
Create componentJun 26, 2018
Initial releaseAug 15, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / 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

CACTVS 3.385ONC(=O)c1sc2cccc(Cl)c2c1
OpenEye OEToolkits 2.0.6c1cc2c(cc(s2)C(=O)NO)c(c1)Cl

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SMILES CANONICAL

CACTVS 3.385ONC(=O)c1sc2cccc(Cl)c2c1
OpenEye OEToolkits 2.0.6c1cc2c(cc(s2)C(=O)NO)c(c1)Cl

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InChI

InChI 1.03InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)

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InChIKey

InChI 1.03IHGVZTXLHUWVIA-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.64-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide

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PDB entries

Showing all 1 items

PDB-6gx3:
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1

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