Bioactive Compound Details

BioIDbio618
NameCOMMUNESIN C
ChEMBL IDCHEMBL447208
Molecular FormulaC31H34N4O2
Molecular Weight494.64
Molecular Weight (Monoisotopic)494.2682
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCommunesin C
SmilesC/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@@H]4Nc5cccc6c5[C@@]42CCN([C@@H]13)[C@@H]6[C@H]1OC1(C)C
InchiInChI=1S/C31H34N4O2/c1-4-5-6-14-23(36)34-17-15-30-20-11-7-8-12-21(20)32-27-31(30)16-18-35(28(30)34)25(26-29(2,3)37-26)19-10-9-13-22(33-27)24(19)31/h4-14,25-28,32-33H,15-18H2,1-3H3/b5-4+,14-6+/t25-,26+,27+,28+,30-,31-/m0/s1
Inchi KeyNGWRTMWKLOPVRM-SNBYXLDTSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities8.0
Np Likeness Score1.81
Records Key['2', '3']
Records Name['Communesin C', 'Communesin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure