Bioactive Compound Details

BioIDbio442
NameRACEMOSININE C
ChEMBL IDCHEMBL1172572
Molecular FormulaC35H32N2O7
Molecular Weight592.65
Molecular Weight (Monoisotopic)592.221
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRacemosinine C
SmilesCOc1cc2c3cc1Oc1c(O)c(OC)cc4ccnc(c14)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N+](C)([O-])CC2
InchiInChI=1S/C35H32N2O7/c1-37(40)13-11-22-17-30(41-2)31-19-25(22)27(37)15-21-6-9-28(38)29(16-21)43-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(42-3)34(39)35(33)44-31/h4-10,12,16-19,27,38-39H,11,13-15H2,1-3H3/t27-,37?/m1/s1
Inchi KeyDTBYELYRIBFWEE-YNJTUNHHSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.3
Records Key['6']
Records Name['Racemosinine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure