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A1I6U

Summary
Name:5-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-6-phenylmethoxy-pyridine-2-carboxylic acid
Formula:C28 H16 Cl2 F3 N3 O4
Formal charge:0
Formula weight:586.346 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-6-phenylmethoxy-pyridine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H16Cl2F3N3O4/c29-16-9-12-22-18(13-16)24(35-36(22)26(37)23-19(28(31,32)33)7-4-8-20(23)30)17-10-11-21(27(38)39)34-25(17)40-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,38,39)
InChIKeyInChI1.06ICINDMUXSMKYSA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)n1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)n1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2c(ccc(n2)C(=O)O)c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2c(ccc(n2)C(=O)O)c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl

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PDB entries from 2026-03-25

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