Bioactive Compound Details

BioIDbio1241
NameBIONECTIN C
ChEMBL IDCHEMBL518869
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62
Molecular Weight (Monoisotopic)480.129
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBionectin C
SmilesCS[C@H]1C(=O)N2[C@H]3Nc4ccccc4[C@@]3(c3c[nH]c4ccccc34)[C@H](O)[C@]2(SC)C(=O)N1C
InchiInChI=1S/C24H24N4O3S2/c1-27-19(32-2)18(29)28-21-23(14-9-5-7-11-17(14)26-21,20(30)24(28,33-3)22(27)31)15-12-25-16-10-6-4-8-13(15)16/h4-12,19-21,25-26,30H,1-3H3/t19-,20-,21+,23+,24-/m0/s1
Inchi KeyJRTACGAFPBCZMH-OSGAQNHASA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities6.0
Np Likeness Score1.61
Records Key['3']
Records Name['bionectin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure