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Y22

Summary
Name:6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
Formula:C18 H11 F6 N3 O2
Formal charge:0
Formula weight:415.289 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
OpenEye OEToolkits1.9.26-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methylamino]quinoxaline-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1ccc(cc1)CNc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F
InChIInChI1.03InChI=1S/C18H11F6N3O2/c19-17(20,21)10-3-1-9(2-4-10)8-25-15-14(16(28)29)26-12-6-5-11(18(22,23)24)7-13(12)27-15/h1-7H,8H2,(H,25,27)(H,28,29)
InChIKeyInChI1.03FEJSMMIZTOMLEL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1nc2ccc(cc2nc1NCc3ccc(cc3)C(F)(F)F)C(F)(F)F
SMILESCACTVS3.385OC(=O)c1nc2ccc(cc2nc1NCc3ccc(cc3)C(F)(F)F)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F

219140

PDB entries from 2024-05-01

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