Bioactive Compound Details

BioIDbio880
NameNone
ChEMBL IDCHEMBL1092618
Molecular FormulaC23H35NO5
Molecular Weight405.54
Molecular Weight (Monoisotopic)405.2515
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEnt-Ircinialactam C
SmilesC/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@@H](C)CC(=O)O
InchiInChI=1S/C23H35NO5/c1-17(9-5-11-19(3)15-21(25)26)7-4-8-18(2)10-6-12-20-13-14-24(23(20)29)16-22(27)28/h7,10,13,19H,4-6,8-9,11-12,14-16H2,1-3H3,(H,25,26)(H,27,28)/b17-7+,18-10+/t19-/m1/s1
Inchi KeyFYWCTUYAFXXJQJ-CVUGZRRRSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities4.0
Np Likeness Score1.74
Records Key['8']
Records Name['ent-ircinialactam C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure