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- ChemComp-N08: ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: N08
NameName: ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide

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Chemical information

Composition
Formula: C13H12FNO2 / Number of atoms: 29 / Formula weight: 233.238 / Formal charge: 0
Others

6taw

Type: non-polymer / PDB classification: HETAIN / Three letter code: N08 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TAW
History
Create componentOct 31, 2019
Initial releaseJul 1, 2020
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 3.385Fc1ccc(CCNC(=O)c2occc2)cc1
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)NCCc2ccc(cc2)F

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(CCNC(=O)c2occc2)cc1
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)NCCc2ccc(cc2)F

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InChI

InChI 1.03InChI=1S/C13H12FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)

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InChIKey

InChI 1.03GSMVTQDRELNXRQ-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-5r5f:
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13793a

PDB-5s9w:
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872

PDB-6taw:
3C-like protease from Southampton virus complexed with FMOPL000411a.

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