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RQ4

Summary
Name:6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:C17 H11 F3 N2 O2 S
Formal charge:0
Formula weight:364.342 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
OpenEye OEToolkits2.0.76-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1c(cc(C(O)=O)c(n1)C(F)(F)F)c3scc(c2ccccc2)n3
InChIInChI1.03InChI=1S/C17H11F3N2O2S/c1-9-11(7-12(16(23)24)14(21-9)17(18,19)20)15-22-13(8-25-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,23,24)
InChIKeyInChI1.03AXBBYZUKIKQBNR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc(c(cc1c2scc(n2)c3ccccc3)C(O)=O)C(F)(F)F
SMILESCACTVS3.385Cc1nc(c(cc1c2scc(n2)c3ccccc3)C(O)=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3
SMILESOpenEye OEToolkits2.0.7Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3

219140

PDB entries from 2024-05-01

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