Bioactive Compound Details

BioIDbio200306
NameNone
ChEMBL IDCHEMBL252554
Molecular FormulaC29H30N2O4
Molecular Weight470.57
Molecular Weight (Monoisotopic)470.2206
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Benzoyloxyethyl (3R,16S)-Apovincaminate
SmilesCC[C@@]12C=C(C(=O)OCCOC(=O)c3ccccc3)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42
InchiInChI=1S/C29H30N2O4/c1-2-29-14-8-15-30-16-13-22-21-11-6-7-12-23(21)31(25(22)26(29)30)24(19-29)28(33)35-18-17-34-27(32)20-9-4-3-5-10-20/h3-7,9-12,19,26H,2,8,13-18H2,1H3/t26-,29-/m0/s1
Inchi KeyFHIRDHHCPXVOFW-WNJJXGMVSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score0.45
Records Key['7e']
Records Name['2-benzoyloxyethyl (3R,16S)-apovincaminate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure