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
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Generation 1
Show metabolites
COC(=O)CSC1=CC(N=c2sc(=O)n3n2CCCC3)=C(F)C(=O)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.20
0.20
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dehydration
Probability 0.20
0.20
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15o
hydrogenation
Probability 0.20
0.20
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oxygen reduction
Probability 0.20
0.20
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