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A1IQL

Summary
Name:4-[5-chloranyl-1-(2,6-dimethylphenyl)carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
Formula:C30 H23 Cl N2 O4
Formal charge:0
Formula weight:510.968 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C30H23ClN2O4/c1-18-7-6-8-19(2)27(18)29(34)33-25-14-12-22(31)16-24(25)28(32-33)23-13-11-21(30(35)36)15-26(23)37-17-20-9-4-3-5-10-20/h3-16H,17H2,1-2H3,(H,35,36)
InChIKeyInChI1.06UPOUJJCANLJBJH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(C)c1C(=O)n2nc(c3ccc(cc3OCc4ccccc4)C(O)=O)c5cc(Cl)ccc25
SMILESCACTVS3.385Cc1cccc(C)c1C(=O)n2nc(c3ccc(cc3OCc4ccccc4)C(O)=O)c5cc(Cl)ccc25
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccccc5)C(=O)O)Cl)C
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccccc5)C(=O)O)Cl)C

250835

PDB entries from 2026-03-18

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