Bioactive Compound Details

BioIDbio858
NameCHRESTFOLINE C
ChEMBL IDCHEMBL502119
Molecular FormulaC37H36N2O2
Molecular Weight540.71
Molecular Weight (Monoisotopic)540.2777
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsChrestfoline C
SmilesCOc1cc(Cn2c3ccccc3c3cc(C)c4c(c32)C=CC(C)(CCC=C(C)C)O4)cc2c1[nH]c1ccccc12
InchiInChI=1S/C37H36N2O2/c1-23(2)11-10-17-37(4)18-16-28-35-30(19-24(3)36(28)41-37)27-13-7-9-15-32(27)39(35)22-25-20-29-26-12-6-8-14-31(26)38-34(29)33(21-25)40-5/h6-9,11-16,18-21,38H,10,17,22H2,1-5H3
Inchi KeyWZDZCOAWFXDCTD-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets69.0
Bioactivities125.0
Np Likeness Score1.36
Records Key['18', 'SID506298']
Records Name['Chrestfoline C', 'SID506298']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure