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- ChemComp-1UK: N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyrid... -

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Basic information

EntryDatabase: PDB chemical components / ID: 1UK
NameName: N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide

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Chemical information

Composition
Formula: C15H12F3N5O / Number of atoms: 36 / Formula weight: 335.284 / Formal charge: 0
Others

4kzc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1UK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4KZC
History
Create componentJun 7, 2013
Initial releaseJul 17, 2013
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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

ACDLabs 12.01FC(F)(F)c3cc(c1ccc2nc(cn2c1)NC(=O)C)cnc3N
CACTVS 3.370CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F
OpenEye OEToolkits 1.7.6CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F

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SMILES CANONICAL

CACTVS 3.370CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F
OpenEye OEToolkits 1.7.6CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F

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InChI

InChI 1.03InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)

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InChIKey

InChI 1.03TVUPSIBSWDXJGQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
OpenEye OEToolkits 1.7.6N-[6-[6-azanyl-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide

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PDB entries

Showing all 1 items

PDB-4kzc:
Structure of PI3K gamma with Imidazopyridine inhibitors

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