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A1IQ3

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(3-methoxyphenyl)methoxy]benzoic acid
Formula:C30 H19 Cl2 F3 N2 O5
Formal charge:0
Formula weight:615.383 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C30H19Cl2F3N2O5/c1-41-19-5-2-4-16(12-19)15-42-25-13-17(29(39)40)8-10-20(25)27-21-14-18(31)9-11-24(21)37(36-27)28(38)26-22(30(33,34)35)6-3-7-23(26)32/h2-14H,15H2,1H3,(H,39,40)
InChIKeyInChI1.06ABWOBBLTICEIGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1
SMILESCACTVS3.385COc1cccc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O

250835

PDB entries from 2026-03-18

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