Bioactive Compound Details

BioIDbio199133
NameNone
ChEMBL IDCHEMBL272724
Molecular FormulaC29H25N3O4
Molecular Weight479.54
Molecular Weight (Monoisotopic)479.1845
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms7-(2-Methylphenyl)Iminomethylhomocamptothecin
SmilesCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccccc1C
InchiInChI=1S/C29H25N3O4/c1-3-29(35)13-26(33)36-16-21-22(29)12-25-27-20(15-32(25)28(21)34)19(18-9-5-7-11-24(18)31-27)14-30-23-10-6-4-8-17(23)2/h4-12,14,35H,3,13,15-16H2,1-2H3/b30-14+
Inchi KeySCFPGRKJYDQUDT-AMVVHIIESA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score0.42
Records Key['9b']
Records Name['7-(2-methylphenyl)iminomethylhomocamptothecin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure