Bioactive Compound Details

BioIDbio199430
NameXENORHABDIN 2
ChEMBL IDCHEMBL491996
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41
Molecular Weight (Monoisotopic)284.0653
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsXenorhabdin 2
SmilesCC(C)CCCC(=O)Nc1c2sscc-2[nH]c1=O
InchiInChI=1S/C12H16N2O2S2/c1-7(2)4-3-5-9(15)14-10-11-8(6-17-18-11)13-12(10)16/h6-7H,3-5H2,1-2H3,(H,13,16)(H,14,15)
Inchi KeyZHGZIFCTZVOLMX-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities14.0
Np Likeness Score0.21
Records Key['2']
Records Name['xenorhabdin 2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure