Bioactive Compound Details

BioIDbio197382
NameNone
ChEMBL IDCHEMBL408072
Molecular FormulaC21H21NS
Molecular Weight319.47
Molecular Weight (Monoisotopic)319.1395
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(Tritylsulfanyl)Ethanamine|2-(Tritylthio)Ethanamine
SmilesNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InchiInChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2
Inchi KeyXZOWICPSVWHCTC-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets11.0
Bioactivities28.0
Np Likeness Score-0.33
Records Key['2', '31', '17', '38', '15']
Records Name['2-(Tritylsulfanyl)ethanamine', '2-(tritylthio)ethanamine', '2-(Tritylthio)ethanamine', '2-(tritylthio)ethanamine', '2-(tritylthio)ethanamine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure