Bioactive Compound Details

BioIDbio197611
NameNone
ChEMBL IDCHEMBL559833
Molecular FormulaC25H22O4
Molecular Weight386.45
Molecular Weight (Monoisotopic)386.1518
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsCombretastatin D-2 Benzyl Ether
SmilesO=C1CCc2ccc(OCc3ccccc3)c(c2)Oc2ccc(cc2)/C=C\CO1
InchiInChI=1S/C25H22O4/c26-25-15-11-20-10-14-23(28-18-21-5-2-1-3-6-21)24(17-20)29-22-12-8-19(9-13-22)7-4-16-27-25/h1-10,12-14,17H,11,15-16,18H2/b7-4-
Inchi KeyRBKKURDARXKWAV-DAXSKMNVSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.04
Records Key['22']
Records Name['Combretastatin D-2 Benzyl Ether']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure