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A1IPU

Summary
Name:3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid
Formula:C30 H17 Cl2 F3 N2 O6
Formal charge:0
Formula weight:629.367 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C30H17Cl2F3N2O6/c31-17-6-8-22-19(12-17)27(36-37(22)28(38)26-20(30(33,34)35)2-1-3-21(26)32)18-7-5-16(29(39)40)11-24(18)41-13-15-4-9-23-25(10-15)43-14-42-23/h1-12,14,42H,13H2,(H,39,40)
InChIKeyInChI1.06IMYWYUCUSTYKTL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccc3[oH]coc3c2)c1)c4nn(C(=O)c5c(Cl)cccc5C(F)(F)F)c6ccc(Cl)cc46
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccc3[oH]coc3c2)c1)c4nn(C(=O)c5c(Cl)cccc5C(F)(F)F)c6ccc(Cl)cc46
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc6c(c5)OC=[OH]6)C(=O)O)Cl)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc6c(c5)OC=[OH]6)C(=O)O)Cl)C(F)(F)F

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PDB entries from 2026-03-11

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