Bioactive Compound Details

BioIDbio998
NameMINUTISSAMIDE C
ChEMBL IDCHEMBL1814283
Molecular FormulaC55H89N13O16
Molecular Weight1188.39
Molecular Weight (Monoisotopic)1187.655
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMinutissamide C
SmilesC/C=C1/NC(=O)[C@H](CC(N)=O)NC(=O)/C(=C\C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(=O)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC1=O
InchiInChI=1S/C55H89N13O16/c1-10-32(70)22-19-17-15-13-14-16-18-21-29(6)43-45(74)53(82)64-42(28(4)5)52(81)61-34(12-3)48(77)63-36(26-40(57)72)50(79)60-33(11-2)47(76)62-35(25-39(56)71)49(78)59-30(7)46(75)66-44(31(8)69)55(84)67(9)38(27-41(58)73)54(83)68-24-20-23-37(68)51(80)65-43/h11-12,28-31,35-38,42-45,69,74H,10,13-27H2,1-9H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,59,78)(H,60,79)(H,61,81)(H,62,76)(H,63,77)(H,64,82)(H,65,80)(H,66,75)/b33-11+,34-12+/t29-,30+,31+,35-,36-,37-,38-,42-,43+,44-,45+/m0/s1
Inchi KeyHZHLPFLQTJCCHS-HFAMINCGSA-N
Molecular SpeciesNone
Targets1.0
Bioactivities1.0
Np Likeness ScoreNone
Records Key['3']
Records Name['Minutissamide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure