Bioactive Compound Details

BioIDbio851
NameCOAGULIN C
ChEMBL IDCHEMBL475326
Molecular FormulaC28H36O5
Molecular Weight452.59
Molecular Weight (Monoisotopic)452.2563
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCoagulin C
SmilesCC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1
InchiInChI=1S/C28H36O5/c1-16-15-22(32-23(30)17(16)2)26(5)28(31)14-13-27(33-26)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1
Inchi KeySQIMTAKSNDBHOX-MEZCUPPISA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score3.39
Records Key['1']
Records Name['coagulin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure