Bioactive Compound Details

BioIDbio69
NameAXINISOTHIOCYANATE C
ChEMBL IDCHEMBL2021439
Molecular FormulaC15H25NO2S
Molecular Weight283.44
Molecular Weight (Monoisotopic)283.1606
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAxinisothiocyanate C
SmilesCC(C)C1=C2[C@@H](CC[C@@](C)(O)[C@H]2O)[C@](C)(N=S)CC1
InchiInChI=1S/C15H25NO2S/c1-9(2)10-5-7-14(3,16-19)11-6-8-15(4,18)13(17)12(10)11/h9,11,13,17-18H,5-8H2,1-4H3/t11-,13+,14-,15-/m1/s1
Inchi KeyZCUIYTSIBRUOPC-FAAHXZRKSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.87
Records Key['3']
Records Name['axinisothiocyanate C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure