Bioactive Compound Details

BioIDbio197722
NameNone
ChEMBL IDCHEMBL522685
Molecular FormulaC26H28N4O4
Molecular Weight460.53
Molecular Weight (Monoisotopic)460.2111
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2,7-Bis[2-(Pyrrolidino)Acetamido]Anthraquinone
SmilesO=C(CN1CCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN3CCCC3)ccc1C2=O
InchiInChI=1S/C26H28N4O4/c31-23(15-29-9-1-2-10-29)27-17-5-7-19-21(13-17)26(34)22-14-18(6-8-20(22)25(19)33)28-24(32)16-30-11-3-4-12-30/h5-8,13-14H,1-4,9-12,15-16H2,(H,27,31)(H,28,32)
Inchi KeyCJLKYQVGOOCWAC-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities12.0
Np Likeness Score-0.83
Records Key['6']
Records Name['2,7-Bis[2-(pyrrolidino)acetamido]anthraquinone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure