Bioactive Compound Details

BioIDbio198344
NameNone
ChEMBL IDCHEMBL399579
Molecular FormulaC24H28N2O4
Molecular Weight408.5
Molecular Weight (Monoisotopic)408.2049
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetyloxyethyl (3R,16S)-Apovincaminate
SmilesCC[C@@]12C=C(C(=O)OCCOC(C)=O)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42
InchiInChI=1S/C24H28N2O4/c1-3-24-10-6-11-25-12-9-18-17-7-4-5-8-19(17)26(21(18)22(24)25)20(15-24)23(28)30-14-13-29-16(2)27/h4-5,7-8,15,22H,3,6,9-14H2,1-2H3/t22-,24-/m0/s1
Inchi KeyRWTVOOSEEBEYRF-UPVQGACJSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score0.76
Records Key['7c']
Records Name['2-acetyloxyethyl (3R,16S)-apovincaminate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure