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- ChemComp-T9V: N-(4-methoxyphenyl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: T9V
NameName: N-(4-methoxyphenyl)acetamide

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Chemical information

Composition
Formula: C9H11NO2 / Number of atoms: 23 / Formula weight: 165.189 / Formal charge: 0
Others

5qyh

Type: non-polymer / PDB classification: HETAIN / Three letter code: T9V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QYH
History
Create componentMar 18, 2020
Initial releaseJun 10, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / 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 12.01c1cc(ccc1OC)NC(=O)C
CACTVS 3.385COc1ccc(NC(C)=O)cc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc(NC(C)=O)cc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)OC

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InChI

InChI 1.03InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)

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InChIKey

InChI 1.03XVAIDCNLVLTVFM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(4-methoxyphenyl)acetamide
OpenEye OEToolkits 2.0.7~{N}-(4-methoxyphenyl)ethanamide

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PDB entries

Showing all 1 items

PDB-5qyh:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G04a

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