Bioactive Compound Details

BioIDbio1048
NameROSTRATIN C
ChEMBL IDCHEMBL457599
Molecular FormulaC20H24N2O8S2
Molecular Weight484.55
Molecular Weight (Monoisotopic)484.0974
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRostratin C
SmilesCO[C@H]1CC(=O)[C@H]2C[C@@]34SS[C@]5(C[C@@H]6C(=O)C[C@H](OC)[C@H](O)[C@@H]6N5C3=O)C(=O)N4[C@H]2[C@H]1O
InchiInChI=1S/C20H24N2O8S2/c1-29-11-3-9(23)7-5-19-18(28)22-14-8(10(24)4-12(30-2)16(14)26)6-20(22,32-31-19)17(27)21(19)13(7)15(11)25/h7-8,11-16,25-26H,3-6H2,1-2H3/t7-,8-,11+,12+,13-,14-,15+,16+,19-,20-/m1/s1
Inchi KeyWZZFRBNMRXVFNQ-UDLXUQTMSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.62
Records Key['3']
Records Name['rostratin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure