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A1IQ8

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(4-chlorophenyl)methoxy]benzoic acid
Formula:C29 H16 Cl3 F3 N2 O4
Formal charge:0
Formula weight:619.803 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-[(4-chlorophenyl)methoxy]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H16Cl3F3N2O4/c30-17-7-4-15(5-8-17)14-41-24-12-16(28(39)40)6-10-19(24)26-20-13-18(31)9-11-23(20)37(36-26)27(38)25-21(29(33,34)35)2-1-3-22(25)32/h1-13H,14H2,(H,39,40)
InChIKeyInChI1.06LYZOBUJCFNGCCW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccc(Cl)cc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccc(Cl)cc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc(cc5)Cl)C(=O)O)Cl)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc(cc5)Cl)C(=O)O)Cl)C(F)(F)F

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PDB entries from 2026-03-18

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