Bioactive Compound Details

BioIDbio199720
NameNone
ChEMBL IDCHEMBL1830156
Molecular FormulaC23H25NO4
Molecular Weight379.46
Molecular Weight (Monoisotopic)379.1784
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsRac-2-(Cyclopropylmethyloxy)Isodomesticine
SmilesCOc1c(OCC2CC2)cc2c3c1-c1cc4c(cc1CC3N(C)CC2)OCO4
InchiInChI=1S/C23H25NO4/c1-24-6-5-14-8-20(26-11-13-3-4-13)23(25-2)22-16-10-19-18(27-12-28-19)9-15(16)7-17(24)21(14)22/h8-10,13,17H,3-7,11-12H2,1-2H3
Inchi KeyYTUNBRIKVNISRV-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.04
Records Key['14e']
Records Name['rac-2-(Cyclopropylmethyloxy)isodomesticine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure