Bioactive Compound Details

BioIDbio197188
NameNone
ChEMBL IDCHEMBL215909
Molecular FormulaC21H46NO4PS
Molecular Weight439.64
Molecular Weight (Monoisotopic)439.2885
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms16-Mercaptohexadecyl 2-(Trimethylammonio)Ethyl Phosphate
SmilesC[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCS
InchiInChI=1S/C21H46NO4PS/c1-22(2,3)18-20-26-27(23,24)25-19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-28/h4-21H2,1-3H3,(H-,23,24,28)
Inchi KeyDEACQIZMDZQUDB-UHFFFAOYSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities4.0
Np Likeness Score0.43
Records Key['1, MT-SH']
Records Name['16-mercaptohexadecyl 2-(trimethylammonio)ethyl phosphate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure