Bioactive Compound Details

BioIDbio301
NameAPETALINE C
ChEMBL IDCHEMBL1927950
Molecular FormulaC32H39N5O6
Molecular Weight589.69
Molecular Weight (Monoisotopic)589.29
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsApetaline C
SmilesCC(C)[C@H](NC(=O)C(C)N(C)C=O)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]21
InchiInChI=1S/C32H39N5O6/c1-20(2)27(35-29(39)21(3)36(4)19-38)32(42)37-17-15-26-28(37)31(41)34-25(18-23-8-6-5-7-9-23)30(40)33-16-14-22-10-12-24(43-26)13-11-22/h5-14,16,19-21,25-28H,15,17-18H2,1-4H3,(H,33,40)(H,34,41)(H,35,39)/b16-14-/t21?,25-,26-,27-,28-/m0/s1
Inchi KeyVTDPXBHEENTWPJ-GKUFJQKTSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.47
Records Key['6']
Records Name['Apetaline C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure