Bioactive Compound Details

BioIDbio1598
NameSTELLETTAZOLE C
ChEMBL IDCHEMBL538609
Molecular FormulaC29H49ClN4O
Molecular Weight505.19
Molecular Weight (Monoisotopic)469.3901
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsStellettazole C
SmilesCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCc1cn(CCCN)c[n+]1C.[Cl-]
InchiInChI=1S/C29H48N4O.ClH/c1-24(2)11-7-12-25(3)13-8-14-26(4)15-9-16-27(5)21-29(34)31-19-17-28-22-33(20-10-18-30)23-32(28)6;/h11,13,15,21-23H,7-10,12,14,16-20,30H2,1-6H3;1H/b25-13+,26-15+,27-21+;
Inchi KeyLEKJYMGJMCASIU-UNVKNCIQSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score1.09
Records Key['4']
Records Name['Stellettazole C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure