Bioactive Compound Details

BioIDbio198408
NameNone
ChEMBL IDCHEMBL607095
Molecular FormulaC25H33N3O4
Molecular Weight439.56
Molecular Weight (Monoisotopic)439.2471
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetylaminoethyl 18-Methoxycoronaridinate
SmilesCOCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCNC(C)=O)(C2)[C@H]13
InchiInChI=1S/C25H33N3O4/c1-16(29)26-9-12-32-24(30)25-14-17-13-18(8-11-31-2)23(25)28(15-17)10-7-20-19-5-3-4-6-21(19)27-22(20)25/h3-6,17-18,23,27H,7-15H2,1-2H3,(H,26,29)/t17?,18-,23-,25+/m0/s1
Inchi KeyPIPDTENSRZRDNA-BJASRFDRSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities7.0
Np Likeness Score0.87
Records Key['10']
Records Name['2-Acetylaminoethyl 18-methoxycoronaridinate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure