Bioactive Compound Details

BioIDbio1036
NameAGELASIDINE C
ChEMBL IDCHEMBL598329
Molecular FormulaC23H41N3O2S
Molecular Weight423.67
Molecular Weight (Monoisotopic)423.2919
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAgelasidine C
SmilesCC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/CC/C(C)=C/CS(=O)(=O)CCNC(=N)N
InchiInChI=1S/C23H41N3O2S/c1-18(12-14-23(5)20(3)10-7-11-21(23)4)8-6-9-19(2)13-16-29(27,28)17-15-26-22(24)25/h8,10,13,21H,6-7,9,11-12,14-17H2,1-5H3,(H4,24,25,26)/b18-8+,19-13+/t21-,23-/m1/s1
Inchi KeyZKAIIIOGWKNEAA-DEWOAGJPSA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities5.0
Np Likeness Score1.99
Records Key['20']
Records Name['Agelasidine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure