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
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CC(=O)Nc1ccc(S(=O)(=O)C2=CC3OC3(N)C=C2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
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Nc1ccc(S(=O)(=O)C2=CC3OC3(N)C=C2)cc1
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.13
0.13
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hydrogenation
Probability 0.08
0.08
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nitrogen oxidation
Probability 0.07
0.07
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nitrogen oxidation
Probability 0.07
0.07
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dealkylation
Probability 0.04
0.04
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((sup 13)n)ammonia
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