Bioactive Compound Details

BioIDbio198231
NameNone
ChEMBL IDCHEMBL1934001
Molecular FormulaC25H27NO2
Molecular Weight373.5
Molecular Weight (Monoisotopic)373.2042
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms(R)-2-(Tritylamino)Butyl Acetate
SmilesCC[C@H](COC(C)=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InchiInChI=1S/C25H27NO2/c1-3-24(19-28-20(2)27)26-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,26H,3,19H2,1-2H3/t24-/m1/s1
Inchi KeyZMTMWBRDDNKLQG-XMMPIXPASA-N
Molecular SpeciesNEUTRAL
Targets16.0
Bioactivities17.0
Np Likeness Score0.02
Records Key['53']
Records Name['(R)-2-(tritylamino)butyl acetate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure