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
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Generation 1
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Dapsone
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
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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Generation 3
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NC1=CC2OC2(S(=O)(=O)C2=CC3OC3(N)C=C2)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.36
0.36
glutathionation
Probability 0.36
0.36
dna
Probability 0.33
0.33
glutathionation
Probability 0.27
0.27
glutathionation
Probability 0.25
0.25
Showing 5 of 16 metabolites
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