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A1IQH

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid
Formula:C22 H11 Cl2 F3 N2 O3
Formal charge:0
Formula weight:479.236 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H11Cl2F3N2O3/c23-13-8-9-17-14(10-13)19(11-4-6-12(7-5-11)21(31)32)28-29(17)20(30)18-15(22(25,26)27)2-1-3-16(18)24/h1-10H,(H,31,32)
InChIKeyInChI1.06OXJOKAGFOQIGMW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(cc1)c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c4ccc(Cl)cc24
SMILESCACTVS3.385OC(=O)c1ccc(cc1)c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c4ccc(Cl)cc24
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4)C(=O)O)Cl)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4)C(=O)O)Cl)C(F)(F)F

250835

PDB entries from 2026-03-18

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