Bioactive Compound Details

BioIDbio1299
NameCHAETOCOCHIN C
ChEMBL IDCHEMBL504373
Molecular FormulaC33H36N6O6S4
Molecular Weight740.96
Molecular Weight (Monoisotopic)740.1579
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsChaetocochin C
SmilesCS[C@@]1(CO)C(=O)N(C)[C@@](Cc2cn([C@]34C[C@@]56SS[C@@](CO)(C(=O)N5[C@H]3Nc3ccccc34)N(C)C6=O)c3ccccc23)(SC)C(=O)N1C
InchiInChI=1S/C33H36N6O6S4/c1-35-27(44)32(17-40,47-5)36(2)25(42)30(35,46-4)14-19-15-38(23-13-9-6-10-20(19)23)29-16-31-26(43)37(3)33(18-41,49-48-31)28(45)39(31)24(29)34-22-12-8-7-11-21(22)29/h6-13,15,24,34,40-41H,14,16-18H2,1-5H3/t24-,29+,30+,31+,32+,33+/m1/s1
Inchi KeyDNXUJPNYOCDWFN-ZIBPZDQUSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score1.75
Records Key['3']
Records Name['chaetocochin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure