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A1IP8

Summary
Name:4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-chloranyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
Formula:C28 H17 Cl3 N2 O4
Formal charge:0
Formula weight:551.805 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H17Cl3N2O4/c29-18-10-12-23-20(14-18)26(32-33(23)27(34)25-21(30)7-4-8-22(25)31)19-11-9-17(28(35)36)13-24(19)37-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,35,36)
InChIKeyInChI1.06PKSLPWWJEIPYJF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4Cl)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4Cl)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)Cl)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)Cl)Cl)C(=O)O

250835

PDB entries from 2026-03-18

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