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

V9J

Summary
Name:3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol
Formula:C20 H13 F O3 S
Formal charge:0
Formula weight:352.379 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol
OpenEye OEToolkits2.0.73-(4-fluorophenyl)-2-(4-oxidanylphenoxy)-1-benzothiophen-6-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(ccc(c1)O)Oc3sc2c(ccc(c2)O)c3c4ccc(cc4)F
InChIInChI1.03InChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H
InChIKeyInChI1.03UDBMVVLTKJMPCJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(Oc2sc3cc(O)ccc3c2c4ccc(F)cc4)cc1
SMILESCACTVS3.385Oc1ccc(Oc2sc3cc(O)ccc3c2c4ccc(F)cc4)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon