Bioactive Compound Details

BioIDbio1172
NameRACEMOSIDINE C
ChEMBL IDCHEMBL1172570
Molecular FormulaC37H40N2O6
Molecular Weight608.74
Molecular Weight (Monoisotopic)608.2886
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRacemosidine C
SmilesCOc1ccc2cc1Oc1cc3c(cc1OC)CCN(C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3
InchiInChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(19-30(40)36(37)43-5)13-15-39(2)29(35)17-23-8-11-31(41-3)33(18-23)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
Inchi KeyDQFIZQYILFTDPW-WDYNHAJCSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.82
Records Key['3']
Records Name['racemosidine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure