Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Monoacetyldapsone
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
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
CC(=O)NC12C=CC(S(=O)(=O)c3ccc(N)cc3)=CC1O2
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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
CC(=O)NC12C=CC(S(=O)(=O)c3ccc(O)cc3)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
CC(=O)NC12C=CC(S(=O)(=O)C3=CC(=O)C(O)=CC3=O)=CC1O2
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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 4
Select a metabolite to form the next generation.
hydrolysis
Probability 0.45
0.45
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(11c)acetic acid
hydrolysis
Probability 0.45
0.45
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An oxidized polyvinyl alcohol
hydrolysis
Probability 0.45
0.45
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hydrogenation
Probability 0.17
0.17
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hydrogenation
Probability 0.15
0.15
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Showing 5 of 81 metabolites
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