Substrate
/
Generation 1
XenoSite
Action
COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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COC(=O)CSC1=C(Cl)C(=O)C(F)=C(N=c2sc(=O)n3n2CCCC3)C1=O
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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 0.21
0.21
dehydration
Probability 0.21
0.21
15o
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