Bioactive Compound Details

BioIDbio197879
NameNone
ChEMBL IDCHEMBL427894
Molecular FormulaC28H22ClN3O4
Molecular Weight499.95
Molecular Weight (Monoisotopic)499.1299
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms7-(2-Chlorophenyl)Iminomethylhomocamptothecin
SmilesCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccccc1Cl
InchiInChI=1S/C28H22ClN3O4/c1-2-28(35)12-25(33)36-15-19-20(28)11-24-26-18(14-32(24)27(19)34)17(16-7-3-5-9-22(16)31-26)13-30-23-10-6-4-8-21(23)29/h3-11,13,35H,2,12,14-15H2,1H3/b30-13+
Inchi KeyFECHNUPKACCYKV-VVEOGCPPSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score0.31
Records Key['9w']
Records Name['7-(2-chlorophenyl)iminomethylhomocamptothecin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure