Substrate
/
Generation 1
XenoSite
Action
COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COC(=O)CSC1=CC(N=c2sc(=O)n3n2CCCC3)=C(F)C(=O)C1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.63
0.63
Methanol
hydrolysis
Probability 0.63
0.63
hydrolysis
Probability 0.63
0.63
dehydration
Probability 0.20
0.20
dehydration
Probability 0.20
0.20
15o
Showing 5 of 113 metabolites
Show all