Bioactive Compound Details

BioIDbio1774
NameSPLENOCIN C
ChEMBL IDCHEMBL527209
Molecular FormulaC29H34N2O9
Molecular Weight554.6
Molecular Weight (Monoisotopic)554.2264
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymssplenocin C
SmilesCCC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@@H]1Cc1ccccc1
InchiInChI=1S/C29H34N2O9/c1-5-16(2)27(35)40-25-18(4)39-29(37)23(31-26(34)20-12-9-13-22(24(20)33)30-15-32)17(3)38-28(36)21(25)14-19-10-7-6-8-11-19/h6-13,15-18,21,23,25,33H,5,14H2,1-4H3,(H,30,32)(H,31,34)/t16?,17-,18+,21-,23+,25+/m1/s1
Inchi KeyXSELIRFLKHOAHM-FJMXMQQUSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score0.84
Records Key['3']
Records Name['splenocin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure