Bioactive Compound Details

BioIDbio751
NameDENDROAMIDE C
ChEMBL IDCHEMBL517602
Molecular FormulaC21H24N6O5S3
Molecular Weight536.66
Molecular Weight (Monoisotopic)536.097
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDendroamide C
SmilesCc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](CC[S+](C)[O-])c1nc(cs1)C(=O)N[C@@H]2C
InchiInChI=1S/C21H24N6O5S3/c1-9-19-27-15(11(3)32-19)18(30)23-10(2)20-25-14(7-33-20)17(29)24-12(5-6-35(4)31)21-26-13(8-34-21)16(28)22-9/h7-10,12H,5-6H2,1-4H3,(H,22,28)(H,23,30)(H,24,29)/t9-,10-,12-,35?/m1/s1
Inchi KeyVBKOUAVWXRGGDI-AFCAKOPLSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities9.0
Np Likeness Score1.02
Records Key['3']
Records Name['dendroamide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure