Bioactive Compound Details

BioIDbio199218
NameNone
ChEMBL IDCHEMBL120898
Molecular FormulaC21H39NO4
Molecular Weight369.55
Molecular Weight (Monoisotopic)369.2879
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsMethyl 4-(2-Oxohexadecanamido)Butanoate
SmilesCCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)OC
InchiInChI=1S/C21H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(23)21(25)22-18-15-17-20(24)26-2/h3-18H2,1-2H3,(H,22,25)
Inchi KeyZMEMTAXTEWWHOZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities7.0
Np Likeness Score0.01
Records Key['18', '45', 'AX-010']
Records Name['methyl 4-(2-oxohexadecanamido)butanoate', 'methyl 4-(2-oxohexadecanamido)butanoate', '4-(2-Oxo-hexadecanoylamino)-butyric acid methyl ester']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure