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
Generation 1
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CC(=O)Nc1ccc(S(=O)(=O)C2=CC=C(N)C3OC23)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=CC=C(S(=O)(=O)c2ccc(N)cc2)C2OC12
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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
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NC1=CC=C(S(=O)(=O)c2ccc(N=O)cc2)C2OC12
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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.
glutathionation
Probability 0.52
0.52
dna
Probability 0.52
0.52
glutathionation
Probability 0.39
0.39
dna
Probability 0.36
0.36
protein
Probability 0.24
0.24
Showing 5 of 8 metabolites
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