Bioactive Compound Details

BioIDbio197995
NameNone
ChEMBL IDCHEMBL1782220
Molecular FormulaC18H36O2S
Molecular Weight316.55
Molecular Weight (Monoisotopic)316.2436
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsTrans-2-(Dodecylsulfinyl)Cyclohexanol
SmilesCCCCCCCCCCCC[S+]([O-])[C@@H]1CCCC[C@H]1O
InchiInChI=1S/C18H36O2S/c1-2-3-4-5-6-7-8-9-10-13-16-21(20)18-15-12-11-14-17(18)19/h17-19H,2-16H2,1H3/t17-,18-,21?/m1/s1
Inchi KeyWYADNGXGCYGXGN-FYQIFJIOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score0.49
Records Key['13']
Records Name['trans-2-(Dodecylsulfinyl)cyclohexanol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure