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- ChemComp-NUQ: 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: NUQ
NameName: 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one

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Chemical information

Composition
Formula: C15H12FN3O / Number of atoms: 32 / Formula weight: 269.274 / Formal charge: 0
Others

6tq2

Type: non-polymer / PDB classification: HETAIN / Three letter code: NUQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TQ2
History
Create componentDec 16, 2019
Initial releaseFeb 19, 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 3.385CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
OpenEye OEToolkits 2.0.7CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F

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SMILES CANONICAL

CACTVS 3.385CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
OpenEye OEToolkits 2.0.7CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F

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InChI

InChI 1.03InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18)

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InChIKey

InChI 1.03QXLXUFQMLZRGPI-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6tq2:
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one

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