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A1IQ5

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(cyclohexylmethoxy)benzoic acid
Formula:C29 H23 Cl2 F3 N2 O4
Formal charge:0
Formula weight:591.405 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(cyclohexylmethoxy)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H23Cl2F3N2O4/c30-18-10-12-23-20(14-18)26(35-36(23)27(37)25-21(29(32,33)34)7-4-8-22(25)31)19-11-9-17(28(38)39)13-24(19)40-15-16-5-2-1-3-6-16/h4,7-14,16H,1-3,5-6,15H2,(H,38,39)
InChIKeyInChI1.06DTQSWAPVCBUZRI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCC2CCCCC2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCC2CCCCC2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCC5CCCCC5)C(=O)O)Cl)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCC5CCCCC5)C(=O)O)Cl)C(F)(F)F

250835

PDB entries from 2026-03-18

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