Bioactive Compound Details

BioIDbio199034
NameNone
ChEMBL IDCHEMBL429417
Molecular FormulaC28H23N3O5
Molecular Weight481.51
Molecular Weight (Monoisotopic)481.1638
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms7-(2-Hydroxyphenyl)Iminomethylhomocamptothecin
SmilesCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccccc1O
InchiInChI=1S/C28H23N3O5/c1-2-28(35)12-25(33)36-15-19-20(28)11-23-26-18(14-31(23)27(19)34)17(16-7-3-4-8-21(16)30-26)13-29-22-9-5-6-10-24(22)32/h3-11,13,32,35H,2,12,14-15H2,1H3/b29-13+
Inchi KeyPIAHQZUTUPZZHI-VFLNYLIXSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score0.55
Records Key['9q']
Records Name['7-(2-hydroxyphenyl)iminomethylhomocamptothecin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure