Bioactive Compound Details

BioIDbio966
NameCLAVAMINOL C
ChEMBL IDCHEMBL387845
Molecular FormulaC14H29NO2
Molecular Weight243.39
Molecular Weight (Monoisotopic)243.2198
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsclavaminol C
SmilesCCCCCCCCC[C@H](O)[C@@H](C)NC(C)=O
InchiInChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-11-14(17)12(2)15-13(3)16/h12,14,17H,4-11H2,1-3H3,(H,15,16)/t12-,14+/m1/s1
Inchi KeyXQVGKCPBADDMQR-OCCSQVGLSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities12.0
Np Likeness Score0.93
Records Key['2', '3, clavaminol C']
Records Name['Clavaminol C', 'N-((2R,3S)-3-hydroxydodecan-2-yl)acetamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure