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A1IPW

Summary
Name:4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-methyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
Formula:C30 H20 Cl F3 N2 O4
Formal charge:0
Formula weight:564.939 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C30H20ClF3N2O4/c1-17-10-13-24-21(14-17)27(35-36(24)28(37)26-22(30(32,33)34)8-5-9-23(26)31)20-12-11-19(29(38)39)15-25(20)40-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,38,39)
InChIKeyInChI1.06AVEDTSBKJVFTOY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2n(nc(c3ccc(cc3OCc4ccccc4)C(O)=O)c2c1)C(=O)c5c(Cl)cccc5C(F)(F)F
SMILESCACTVS3.385Cc1ccc2n(nc(c3ccc(cc3OCc4ccccc4)C(O)=O)c2c1)C(=O)c5c(Cl)cccc5C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4OCc5ccccc5)C(=O)O
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4OCc5ccccc5)C(=O)O

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PDB entries from 2026-01-14

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