Bioactive Compound Details

BioIDbio1179
NameBENZOSCEPTRIN C
ChEMBL IDCHEMBL1097933
Molecular FormulaC22H18Br4N10O2
Molecular Weight774.07
Molecular Weight (Monoisotopic)769.8348
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBenzosceptrin C
SmilesNc1nc2c([nH]1)c1c(c3[nH]c(N)nc32)[C@H](CNC(=O)c2cc(Br)c(Br)[nH]2)[C@H]1CNC(=O)c1cc(Br)c(Br)[nH]1
InchiInChI=1S/C22H18Br4N10O2/c23-7-1-9(31-17(7)25)19(37)29-3-5-6(4-30-20(38)10-2-8(24)18(26)32-10)12-11(5)13-15(35-21(27)33-13)16-14(12)34-22(28)36-16/h1-2,5-6,31-32H,3-4H2,(H,29,37)(H,30,38)(H3,27,33,35)(H3,28,34,36)/t5-,6-/m1/s1
Inchi KeyISLJSGNSELMNBP-PHDIDXHHSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score0.44
Records Key['Benzosceptrin C', '5']
Records Name['Benzosceptrin C', 'benzosceptrin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure