Bioactive Compound Details

BioIDbio1585
NameCOUMABIOCIN C
ChEMBL IDCHEMBL1097289
Molecular FormulaC31H36N2O11
Molecular Weight612.63
Molecular Weight (Monoisotopic)612.2319
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCoumabiocin C
SmilesCO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)OC1(C)C
InchiInChI=1S/C31H36N2O11/c1-14-18(40-28-22(35)24(42-29(32)38)25(39-6)31(4,5)44-28)10-8-17-21(34)20(27(37)41-23(14)17)33-26(36)16-7-9-19-15(13-16)11-12-30(2,3)43-19/h7-10,13,22,24-25,28,34-35H,11-12H2,1-6H3,(H2,32,38)(H,33,36)/t22-,24+,25-,28-/m1/s1
Inchi KeyXHPKFSICBQUAKE-BOFKSZNZSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities4.0
Np Likeness Score1.1
Records Key['3']
Records Name['Coumabiocin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure