Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

KN0

Summary
Name:4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
Formula:C21 H15 F3 N2 O2
Formal charge:0
Formula weight:384.351 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
OpenEye OEToolkits1.7.04-[1-(phenylmethyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)Cc4ccccc4
SMILES_CANONICALCACTVS3.370Oc1ccc(c(O)c1)c2nn(Cc3ccccc3)c4c2cccc4C(F)(F)F
SMILESCACTVS3.370Oc1ccc(c(O)c1)c2nn(Cc3ccccc3)c4c2cccc4C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O
InChIInChI1.03InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-7-16-19(15-10-9-14(27)11-18(15)28)25-26(20(16)17)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2
InChIKeyInChI1.03LXPUCQLYLWGFLV-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

PDB statisticsPDBj update infoContact PDBjnumon