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- ChemComp-7IV: ~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 7IV
NameName: ~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide

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Chemical information

Composition
Formula: C15H14ClNO2 / Number of atoms: 33 / Formula weight: 275.73 / Formal charge: 0
Others

7vkg

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7IV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VKG
History
Create componentOct 7, 2021
Initial releaseOct 5, 2022
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 3.385Clc1ccc(NC(=O)COCc2ccccc2)cc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl

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SMILES CANONICAL

CACTVS 3.385Clc1ccc(NC(=O)COCc2ccccc2)cc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl

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InChI

InChI 1.03InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)

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InChIKey

InChI 1.03CELZHXIAORJPBI-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7vkg:
Crystal structure of AF9 YEATS domain in complex with Compound 10

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