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A1IP3

Summary
Name:4-[5-chloranyl-1-(2-chlorophenyl)carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
Formula:C28 H18 Cl2 N2 O4
Formal charge:0
Formula weight:517.36 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H18Cl2N2O4/c29-19-11-13-24-22(15-19)26(31-32(24)27(33)20-8-4-5-9-23(20)30)21-12-10-18(28(34)35)14-25(21)36-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,34,35)
InChIKeyInChI1.06XDNOEXMPEAPANB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4Cl)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4Cl)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5ccccc5Cl)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5ccccc5Cl)Cl)C(=O)O

250835

PDB entries from 2026-03-18

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