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A1IP4

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(phenylazanylmethyl)benzoic acid
Formula:C29 H18 Cl2 F3 N3 O3
Formal charge:0
Formula weight:584.373 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-(phenylazanylmethyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H18Cl2F3N3O3/c30-18-10-12-24-21(14-18)26(36-37(24)27(38)25-22(29(32,33)34)7-4-8-23(25)31)20-11-9-16(28(39)40)13-17(20)15-35-19-5-2-1-3-6-19/h1-14,35H,15H2,(H,39,40)
InChIKeyInChI1.06OSFUNYOHKCIHLP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(CNc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(CNc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)NCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)NCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O

246704

PDB entries from 2025-12-24

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