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A1IQE

Summary
Name:4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonylindazol-3-yl]-3-phenylmethoxy-benzoic acid
Formula:C29 H18 Cl F3 N2 O4
Formal charge:0
Formula weight:550.912 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H18ClF3N2O4/c30-22-11-6-10-21(29(31,32)33)25(22)27(36)35-23-12-5-4-9-19(23)26(34-35)20-14-13-18(28(37)38)15-24(20)39-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,37,38)
InChIKeyInChI1.06AZFHTAJIVCVEEN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccccc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccccc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4ccccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4ccccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)C(=O)O

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PDB entries from 2026-01-21

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