Bioactive Compound Details

BioIDbio222
NameMAJUSCULAMIDE C
ChEMBL IDCHEMBL258231
Molecular FormulaC50H80N8O12
Molecular Weight985.23
Molecular Weight (Monoisotopic)984.5896
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMajusculamide C
SmilesCCC1NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)OC(=O)C1C
InchiInChI=1S/C50H80N8O12/c1-17-28(6)40-45(64)51-25-37(59)57(14)39(27(4)5)47(66)56(13)36(24-33-20-22-34(69-16)23-21-33)44(63)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(19-3)30(8)48(67)70-41(29(7)18-2)46(65)52-26-38(60)58(40)15/h20-23,27-32,35-36,39-41H,17-19,24-26H2,1-16H3,(H,51,64)(H,52,65)(H,53,63)(H,54,68)(H,55,62)/t28-,29-,30?,31-,32-,35?,36-,39-,40-,41-/m0/s1
Inchi KeyKDZUJZSBNBCYEK-GUUFVNIRSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score1.09
Records Key['1, majusculamide C']
Records Name['majusculamide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure