Bioactive Compound Details

BioIDbio197840
NameNone
ChEMBL IDCHEMBL257748
Molecular FormulaC21H38O4
Molecular Weight354.53
Molecular Weight (Monoisotopic)354.277
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsDiethyl 2-Tetradecylidenemalonate|Diethyl-2-Tetradecylidenemalonate
SmilesCCCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC
InchiInChI=1S/C21H38O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19(20(22)24-5-2)21(23)25-6-3/h18H,4-17H2,1-3H3
Inchi KeyTWZGSYWJERBXQK-UHFFFAOYSA-N
Molecular SpeciesNone
Targets7.0
Bioactivities23.0
Np Likeness Score0.41
Records Key['1a', '1a']
Records Name['diethyl 2-tetradecylidenemalonate', 'diethyl-2-tetradecylidenemalonate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure