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A1I6T

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-2-fluoranyl-3-phenylmethoxy-benzoic acid
Formula:C29 H16 Cl2 F4 N2 O4
Formal charge:0
Formula weight:603.348 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H16Cl2F4N2O4/c30-16-9-12-22-19(13-16)25(36-37(22)27(38)23-20(29(33,34)35)7-4-8-21(23)31)18-11-10-17(28(39)40)24(32)26(18)41-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,39,40)
InChIKeyInChI1.06HVUVQLNDRAOGAI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1F)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1F)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2c(ccc(c2F)C(=O)O)c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2c(ccc(c2F)C(=O)O)c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl

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PDB entries from 2026-03-25

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