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- ChemComp-6UH: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phen... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6UH
NameName: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea

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Chemical information

Composition
Formula: C19H16F3N3O2 / Number of atoms: 43 / Formula weight: 375.344 / Formal charge: 0
Others

5kml

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6UH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KML
History
Create componentJun 27, 2016
Initial releaseDec 28, 2016
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 3.385Cc1onc(c1NC(=O)NCc2ccccc2C(F)(F)F)c3ccccc3
OpenEye OEToolkits 2.0.5Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F

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SMILES CANONICAL

CACTVS 3.385Cc1onc(c1NC(=O)NCc2ccccc2C(F)(F)F)c3ccccc3
OpenEye OEToolkits 2.0.5Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F

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InChI

InChI 1.03InChI=1S/C19H16F3N3O2/c1-12-16(17(25-27-12)13-7-3-2-4-8-13)24-18(26)23-11-14-9-5-6-10-15(14)19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26)

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InChIKey

InChI 1.03JOPADRLBMVFGBD-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.51-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea

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PDB entries

Showing all 1 items

PDB-5kml:
TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea

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