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- ChemComp-OK7: N-(thiophen-2-yl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: OK7
NameName: N-(thiophen-2-yl)acetamide

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Chemical information

Composition
Formula: C6H7NOS / Number of atoms: 16 / Formula weight: 141.191 / Formal charge: 0
Others

6pgu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OK7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PGU
History
Create componentJun 26, 2019
Initial releaseOct 23, 2019
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / 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 12.01CC(=O)Nc1sccc1
CACTVS 3.385CC(=O)Nc1sccc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1cccs1

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SMILES CANONICAL

CACTVS 3.385CC(=O)Nc1sccc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1cccs1

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InChI

InChI 1.03InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)

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InChIKey

InChI 1.03FSATURPVOMZWBY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(thiophen-2-yl)acetamide
OpenEye OEToolkits 2.0.7~{N}-thiophen-2-ylethanamide

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PDB entries

Showing all 1 items

PDB-6pgu:
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA

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