Bioactive Compound Details

BioIDbio1674
NameKLYSIMPLEXIN SULFOXIDE C
ChEMBL IDCHEMBL1928378
Molecular FormulaC30H48O10S
Molecular Weight600.77
Molecular Weight (Monoisotopic)600.2968
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsKlysimplexin Sulfoxide C
SmilesC=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)[C@H](OC(=O)CC[S+](C)[O-])[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]32)[C@](C)(OC(=O)CCC)CC[C@@H]1O
InchiInChI=1S/C30H48O10S/c1-9-10-22(34)40-29(6)13-11-19(32)17(4)15-20-25-24(27(29)38-20)23(16(2)3)26(39-21(33)12-14-41(8)36)28(30(25,7)35)37-18(5)31/h16,19-20,23-28,32,35H,4,9-15H2,1-3,5-8H3/t19-,20+,23+,24+,25+,26-,27+,28+,29+,30-,41?/m0/s1
Inchi KeyHTSABVDYBJWUCZ-BUNMLRLCSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score2.94
Records Key['41']
Records Name['Klysimplexin sulfoxide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure