Bioactive Compound Details

BioIDbio1212
NameBISDIONIN C
ChEMBL IDCHEMBL1738791
Molecular FormulaC17H20N8O4
Molecular Weight400.4
Molecular Weight (Monoisotopic)400.1608
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBisdionin C
SmilesCn1cnc2c1c(=O)n(CCCn1c(=O)c3c(ncn3C)n(C)c1=O)c(=O)n2C
InchiInChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
Inchi KeyKEPIKAFUZRKZMT-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities6.0
Np Likeness Score-0.76
Records Key['Bisdionin C']
Records Name['Bisdionin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure