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- ChemComp-E3E: 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin... -

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Basic information

EntryDatabase: PDB chemical components / ID: E3E
NameName: 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one

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Chemical information

Composition
Formula: C18H13FN4O / Number of atoms: 37 / Formula weight: 320.32 / Formal charge: 0
Others

6fqs

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: E3E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FQS
History
Create componentFeb 15, 2018
Initial releaseApr 4, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 3.385Fc1cc2n3ccnc3C(=O)N(C4CC4)c2cc1c5ccncc5
OpenEye OEToolkits 2.0.6c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5

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SMILES CANONICAL

CACTVS 3.385Fc1cc2n3ccnc3C(=O)N(C4CC4)c2cc1c5ccncc5
OpenEye OEToolkits 2.0.6c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5

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InChI

InChI 1.03InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2

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InChIKey

InChI 1.03UZAPAHIWOLYIFO-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.65-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one

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PDB entries

Showing all 1 items

PDB-6fqs:
3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 and DNA

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