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A1IQ6

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(3,4-dichlorophenyl)methoxy]benzoic acid
Formula:C29 H15 Cl4 F3 N2 O4
Formal charge:0
Formula weight:654.248 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-[(3,4-dichlorophenyl)methoxy]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H15Cl4F3N2O4/c30-16-6-9-23-18(12-16)26(37-38(23)27(39)25-19(29(34,35)36)2-1-3-21(25)32)17-7-5-15(28(40)41)11-24(17)42-13-14-4-8-20(31)22(33)10-14/h1-12H,13H2,(H,40,41)
InChIKeyInChI1.06UAPDXFTWMZWVRB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccc(Cl)c(Cl)c2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccc(Cl)c(Cl)c2)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(cc4OCc5ccc(c(c5)Cl)Cl)C(=O)O)Cl)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc(c(c5)Cl)Cl)C(=O)O)Cl)C(F)(F)F

250835

PDB entries from 2026-03-18

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