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A1EK7

Summary
Name:6-fluoranyl-~{N}-[(1~{S})-2-oxidanyl-1-[4-(trifluoromethyloxy)phenyl]ethyl]quinoline-8-carboxamide
Formula:C19 H14 F4 N2 O3
Formal charge:0
Formula weight:394.32 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-fluoranyl-~{N}-[(1~{S})-2-oxidanyl-1-[4-(trifluoromethyloxy)phenyl]ethyl]quinoline-8-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H14F4N2O3/c20-13-8-12-2-1-7-24-17(12)15(9-13)18(27)25-16(10-26)11-3-5-14(6-4-11)28-19(21,22)23/h1-9,16,26H,10H2,(H,25,27)/t16-/m1/s1
InChIKeyInChI1.06HEEXCMZRIVVGEB-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385OC[C@@H](NC(=O)c1cc(F)cc2cccnc12)c3ccc(OC(F)(F)F)cc3
SMILESCACTVS3.385OC[CH](NC(=O)c1cc(F)cc2cccnc12)c3ccc(OC(F)(F)F)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2cc(cc(c2nc1)C(=O)N[C@H](CO)c3ccc(cc3)OC(F)(F)F)F
SMILESOpenEye OEToolkits2.0.7c1cc2cc(cc(c2nc1)C(=O)NC(CO)c3ccc(cc3)OC(F)(F)F)F

254917

PDB entries from 2026-06-10

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