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
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Generation 1
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CC(=O)Nc1ccc(S(=O)(=O)C23C=CC(N)=CC2O3)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC1=CC2OC2(S(=O)(=O)c2ccc(N)cc2)C=C1
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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.
epoxide opening
Probability 0.11
0.11
epoxide opening
Probability 0.11
0.11
nitrogen oxidation
Probability 0.07
0.07
nitrogen oxidation
Probability 0.07
0.07
hydrogenation
Probability 0.06
0.06
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