Bioactive Compound Details

BioIDbio1236
NamePULLULARIN C
ChEMBL IDCHEMBL2204378
Molecular FormulaC41H55N5O9
Molecular Weight761.92
Molecular Weight (Monoisotopic)761.4
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPullularin C
SmilesCC(C)=CCOc1ccc(C[C@@H]2NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)OC(=O)[C@H](C)N(C)C2=O)cc1
InchiInChI=1S/C41H55N5O9/c1-25(2)19-21-54-30-17-15-29(16-18-30)22-31-38(50)44(6)27(5)41(53)55-34(23-28-12-9-8-10-13-28)40(52)46-20-11-14-33(46)36(48)43-32(24-47)39(51)45(7)35(26(3)4)37(49)42-31/h8-10,12-13,15-19,26-27,31-35,47H,11,14,20-24H2,1-7H3,(H,42,49)(H,43,48)/t27-,31-,32-,33-,34+,35-/m0/s1
Inchi KeyUSJIVQZWXRFTGT-AHBRDIEGSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.27
Records Key['264']
Records Name['pullularin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure