Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1IPZ

Summary
Name:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(oxan-4-ylmethoxy)benzoic acid
Formula:C28 H21 Cl2 F3 N2 O5
Formal charge:0
Formula weight:593.378 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-(oxan-4-ylmethoxy)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H21Cl2F3N2O5/c29-17-5-7-22-19(13-17)25(34-35(22)26(36)24-20(28(31,32)33)2-1-3-21(24)30)18-6-4-16(27(37)38)12-23(18)40-14-15-8-10-39-11-9-15/h1-7,12-13,15H,8-11,14H2,(H,37,38)
InChIKeyInChI1.06JIKBKCICQICNCQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCC2CCOCC2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILESCACTVS3.385OC(=O)c1ccc(c(OCC2CCOCC2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCC5CCOCC5)C(=O)O)Cl)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCC5CCOCC5)C(=O)O)Cl)C(F)(F)F

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon