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
About this model
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)Nc1ccc(S(=O)(=O)C2=CC=C(N=O)C3OC23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CC(=O)NC1=CC(=O)C(S(=O)(=O)C2=CC=C(N=O)C3OC23)=CC1=O
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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.
protein
Probability 0.49
0.49
glutathionation
Probability 0.46
0.46
glutathionation
Probability 0.40
0.40
protein
Probability 0.32
0.32
dna
Probability 0.30
0.30
Showing 5 of 16 metabolites
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