Bioactive Compound Details

BioIDbio126
NameVIEQUEAMIDE C
ChEMBL IDCHEMBL2146623
Molecular FormulaC44H67N5O9
Molecular Weight810.05
Molecular Weight (Monoisotopic)809.4939
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsViequeamide C
SmilesC=CCCC[C@@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InchiInChI=1S/C44H67N5O9/c1-13-14-16-23-33-44(9,10)43(56)46-34(26(2)3)40(53)48(12)36(28(6)7)42(55)57-32(25-30-20-17-15-18-21-30)39(52)49-24-19-22-31(49)38(51)47(11)29(8)37(50)45-35(27(4)5)41(54)58-33/h13,15,17-18,20-21,26-29,31-36H,1,14,16,19,22-25H2,2-12H3,(H,45,50)(H,46,56)/t29-,31-,32-,33-,34-,35-,36-/m0/s1
Inchi KeyBDBPXKKUGNFRBV-ZBZKAUHLSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.54
Records Key['3']
Records Name['viequeamide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure