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A1IQB

Summary
Name:4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-indazol-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-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H18ClF3N2O4/c30-19-11-13-24-22(15-19)26(34-35(24)27(36)20-8-4-5-9-23(20)29(31,32)33)21-12-10-18(28(37)38)14-25(21)39-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,37,38)
InChIKeyInChI1.06GFALUKOBLBRHBN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5ccccc5C(F)(F)F)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5ccccc5C(F)(F)F)Cl)C(=O)O

250835

PDB entries from 2026-03-18

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