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- ChemComp-GQP: 1-[(4-fluorophenyl)methyl]benzimidazole -

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Basic information

EntryDatabase: PDB chemical components / ID: GQP
NameName: 1-[(4-fluorophenyl)methyl]benzimidazole

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Chemical information

Composition
Formula: C14H11FN2 / Number of atoms: 28 / Formula weight: 226.249 / Formal charge: 0
Others

5qhq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GQP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QHQ
History
Create componentMay 31, 2018
Initial releaseOct 10, 2018
External linksUniChem / ChemSpider / ChEMBL / 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

CACTVS 3.385Fc1ccc(Cn2cnc3ccccc23)cc1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ncn2Cc3ccc(cc3)F

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(Cn2cnc3ccccc23)cc1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ncn2Cc3ccc(cc3)F

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InChI

InChI 1.03InChI=1S/C14H11FN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2

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InChIKey

InChI 1.03QLQZBMMYHJKDSH-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.61-[(4-fluorophenyl)methyl]benzimidazole

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PDB entries

Showing all 4 items

PDB-5qdv:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000574a

PDB-5qhq:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000574a

PDB-5qpo:
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000574a

PDB-5r5c:
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13956a

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