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A1IP9

Summary
Name:4-[7-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
Formula:C29 H17 Cl2 F3 N2 O4
Formal charge:0
Formula weight:585.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[7-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H17Cl2F3N2O4/c30-21-10-5-9-20(29(32,33)34)24(21)27(37)36-26-19(8-4-11-22(26)31)25(35-36)18-13-12-17(28(38)39)14-23(18)40-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,38,39)
InChIKeyInChI1.06UWDSLRWKGRPNFB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5c(Cl)cccc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5c(Cl)cccc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cccc(c4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cccc(c4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O

250359

PDB entries from 2026-03-11

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