Substrate
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Generation 1
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Generation 2
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Generation 3
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
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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 1
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COC(=O)CS(=O)c1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
COC(=O)CS(=O)c1cc(N=c2sc(=O)[nH]n2CCCC=O)c(F)cc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
COC(=O)CS(=O)c1cc(N2OC23SC(=O)NN3CCCC=O)c(F)cc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 4
Select a metabolite to form the next generation.
n dealkylation
Probability 0.99
0.99
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n dealkylation
Probability 0.97
0.97
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n dealkylation
Probability 0.84
0.84
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n dealkylation
Probability 0.84
0.84
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Succinic semialdehyde
n dealkylation
Probability 0.84
0.84
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Succindialdehyde
Showing 5 of 9 metabolites
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