Bioactive Compound Details

BioIDbio801
NameCordyheptapeptide C
ChEMBL IDCHEMBL2063003
Molecular FormulaC48H63N7O8
Molecular Weight866.07
Molecular Weight (Monoisotopic)865.4738
TypeProtein
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCordyheptapeptide C
SmilesCC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
InchiInChI=1S/C48H63N7O8/c1-30(2)25-36-45(60)54(7)40(28-33-17-12-9-13-18-33)48(63)55-24-14-19-38(55)47(62)52(5)29-41(57)49-37(26-32-15-10-8-11-16-32)46(61)53(6)39(27-34-20-22-35(56)23-21-34)43(58)51-42(31(3)4)44(59)50-36/h8-13,15-18,20-23,30-31,36-40,42,56H,14,19,24-29H2,1-7H3,(H,49,57)(H,50,59)(H,51,58)/t36-,37-,38-,39-,40+,42-/m0/s1
Inchi KeyOBPKNQFZNTVEGQ-AWTCUSSHSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities6.0
Np Likeness Score0.8
Records Key['1', '76']
Records Name['Cordyheptapeptide C', 'Cordyheptapeptide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure