Bioactive Compound Details

BioIDbio1686
NameOSCILLAPEPTIN C
ChEMBL IDCHEMBL402404
Molecular FormulaC55H77N7O14
Molecular Weight1060.26
Molecular Weight (Monoisotopic)1059.5529
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsOscillapeptin C
SmilesCC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CC2C=CC(O)C=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCc2ccc(O)cc2)NC(=O)[C@@H](CO)OC)[C@@H](C)OC1=O
InchiInChI=1S/C55H77N7O14/c1-9-31(3)45-55(73)76-33(5)46(60-48(66)39(56-51(69)43(30-63)74-7)25-20-34-16-21-37(64)22-17-34)52(70)58-41(28-36-18-23-38(65)24-19-36)49(67)57-40-26-27-44(75-8)62(53(40)71)47(32(4)10-2)54(72)61(6)42(50(68)59-45)29-35-14-12-11-13-15-35/h11-19,21-24,31-33,36,38-47,63-65H,9-10,20,25-30H2,1-8H3,(H,56,69)(H,57,67)(H,58,70)(H,59,68)(H,60,66)/t31-,32+,33-,36?,38?,39-,40+,41+,42+,43-,44-,45+,46+,47+/m1/s1
Inchi KeyZNQKCKIVRFFKBS-LSRQCXLCSA-N
Molecular SpeciesNone
Targets1.0
Bioactivities2.0
Np Likeness ScoreNone
Records Key['oscillapeptin C']
Records Name['oscillapeptin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure