Substrate
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Generation 1
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Generation 2
XenoSite
Monoacetyldapsone
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
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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
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N=O)cc2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC(=O)NC12C=CC(S(=O)(=O)c3ccc(N=O)cc3)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.90
0.90
Acetamide
dealkylation
Probability 0.90
0.90
dealkylation
Probability 0.02
0.02
(11c)acetic acid
dealkylation
Probability 0.02
0.02
dealkylation
Probability 0.01
0.01
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