Bioactive Compound Details

BioIDbio135
NameNone
ChEMBL IDCHEMBL515501
Molecular FormulaC28H50N2O2
Molecular Weight446.72
Molecular Weight (Monoisotopic)446.3872
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(-)-Xestospongin C
SmilesC1CCC[C@H]2CCCN3CC[C@@H](CCCCCC[C@@H]4CCCN5CC[C@@H](CC1)O[C@@H]45)O[C@@H]23
InchiInChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m1/s1
Inchi KeyPQYOPBRFUUEHRC-HCKQMYSWSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities5.0
Np Likeness Score0.69
Records Key['2, XeC']
Records Name['(-)-xestospongin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure