Bioactive Compound Details

BioIDbio198717
NameNone
ChEMBL IDCHEMBL2022988
Molecular FormulaC22H20F3NOS
Molecular Weight403.47
Molecular Weight (Monoisotopic)403.1218
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-((Diphenyl(3-(Trifluoromethoxy)Phenyl)Methyl)Sulfanyl)Ethanamine
SmilesNCCSC(c1ccccc1)(c1ccccc1)c1cccc(OC(F)(F)F)c1
InchiInChI=1S/C22H20F3NOS/c23-22(24,25)27-20-13-7-12-19(16-20)21(28-15-14-26,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16H,14-15,26H2
Inchi KeySNNFOFIJRLLKSP-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities2.0
Np Likeness Score-0.67
Records Key['23']
Records Name['2-((Diphenyl(3-(trifluoromethoxy)phenyl)methyl)sulfanyl)ethanamine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure