Bioactive Compound Details

BioIDbio197173
NameNone
ChEMBL IDCHEMBL404712
Molecular FormulaC29H25N3O5
Molecular Weight495.54
Molecular Weight (Monoisotopic)495.1794
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms7-(2-Methoxyphenyl)Iminomethylhomocamptothecin
SmilesCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccccc1OC
InchiInChI=1S/C29H25N3O5/c1-3-29(35)13-26(33)37-16-20-21(29)12-24-27-19(15-32(24)28(20)34)18(17-8-4-5-9-22(17)31-27)14-30-23-10-6-7-11-25(23)36-2/h4-12,14,35H,3,13,15-16H2,1-2H3/b30-14+
Inchi KeyUGBDRUIYPPMGSS-AMVVHIIESA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score0.44
Records Key['9u']
Records Name['7-(2-methoxyphenyl)iminomethylhomocamptothecin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure