Bioactive Compound Details

BioIDbio198551
NameNone
ChEMBL IDCHEMBL492640
Molecular FormulaC28H32N4O4
Molecular Weight488.59
Molecular Weight (Monoisotopic)488.2424
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2,7-Bis[2-(Piperidino)Acetamido]Anthraquinone
SmilesO=C(CN1CCCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN3CCCCC3)ccc1C2=O
InchiInChI=1S/C28H32N4O4/c33-25(17-31-11-3-1-4-12-31)29-19-7-9-21-23(15-19)28(36)24-16-20(8-10-22(24)27(21)35)30-26(34)18-32-13-5-2-6-14-32/h7-10,15-16H,1-6,11-14,17-18H2,(H,29,33)(H,30,34)
Inchi KeyIOHQNFPYEZQWLH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities12.0
Np Likeness Score-0.79
Records Key['7']
Records Name['2,7-Bis[2-(piperidino)acetamido]anthraquinone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure