Substrate
/
Generation 1
/
Generation 2
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
Generation 1
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N=C1C=CC(S(=O)(=O)c2ccc(N)cc2)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=C1C=CC2(S(=O)(=O)c3ccc(N)cc3)OC2C1=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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.25
0.25
dehydration
Probability 0.24
0.24
dehydration
Probability 0.24
0.24
15o
hydrogenation
Probability 0.24
0.24
oxygen reduction
Probability 0.24
0.24
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