Bioactive Compound Details

BioIDbio198073
NameNone
ChEMBL IDCHEMBL1911028
Molecular FormulaC14H18O3S
Molecular Weight266.36
Molecular Weight (Monoisotopic)266.0977
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsPropyl-2',5'-Dimethoxythiocinnamate
SmilesCCCSC(=O)/C=C/c1cc(OC)ccc1OC
InchiInChI=1S/C14H18O3S/c1-4-9-18-14(15)8-5-11-10-12(16-2)6-7-13(11)17-3/h5-8,10H,4,9H2,1-3H3/b8-5+
Inchi KeyNKBINHOOLHHCFJ-VMPITWQZSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score-0.24
Records Key['35']
Records Name[Propyl-2',5'-dimethoxythiocinnamate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure