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- ChemComp-V3N: 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: V3N
NameName: 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide

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Chemical information

Composition
Formula: C14H17NO3 / Number of atoms: 35 / Formula weight: 247.29 / Formal charge: 0
Others

7o5p

Type: non-polymer / PDB classification: HETAIN / Three letter code: V3N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O5P
History
Create componentApr 9, 2021
Initial releaseJun 9, 2021
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 3.385O=Cc1ccc(cc1)C(=O)NCC2CCOCC2
OpenEye OEToolkits 2.0.7c1cc(ccc1C=O)C(=O)NCC2CCOCC2

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SMILES CANONICAL

CACTVS 3.385O=Cc1ccc(cc1)C(=O)NCC2CCOCC2
OpenEye OEToolkits 2.0.7c1cc(ccc1C=O)C(=O)NCC2CCOCC2

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InChI

InChI 1.03InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17)

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InChIKey

InChI 1.03DEZVNKDDRZQHEA-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7o5p:
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-166

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