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- ChemComp-WN1: N-(2-fluorophenyl)-3-methoxybenzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: WN1
NameName: N-(2-fluorophenyl)-3-methoxybenzamide

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Chemical information

Composition
Formula: C14H12FNO2 / Number of atoms: 30 / Formula weight: 245.249 / Formal charge: 0
Others

5rw8

Type: non-polymer / PDB classification: HETAIN / Three letter code: WN1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RW8
History
Create componentOct 30, 2020
Initial releaseNov 11, 2020
External linksUniChem / ChemSpider / 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

ACDLabs 12.01c1cccc(c1NC(c2cccc(c2)OC)=O)F
CACTVS 3.385COc1cccc(c1)C(=O)Nc2ccccc2F
OpenEye OEToolkits 2.0.7COc1cccc(c1)C(=O)Nc2ccccc2F

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SMILES CANONICAL

CACTVS 3.385COc1cccc(c1)C(=O)Nc2ccccc2F
OpenEye OEToolkits 2.0.7COc1cccc(c1)C(=O)Nc2ccccc2F

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InChI

InChI 1.03InChI=1S/C14H12FNO2/c1-18-11-6-4-5-10(9-11)14(17)16-13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17)

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InChIKey

InChI 1.03GIUMGIOTJZLCCG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(2-fluorophenyl)-3-methoxybenzamide
OpenEye OEToolkits 2.0.7~{N}-(2-fluorophenyl)-3-methoxy-benzamide

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PDB entries

Showing all 3 items

PDB-5rw8:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z28290384

PDB-5s4z:
Tubulin-Z28290384-complex

PDB-5slm:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z28290384

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