Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Balsalazide
O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)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
Show metabolites
O=C(O)CCNC(=O)C1=CC=C(N=Nc2ccc(O)c(C(=O)O)c2)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 2
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NC(=O)C1=CC=C(N=Nc2ccc(O)c(C(=O)O)c2)C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
N=NC1=CC=C(C(N)=O)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 0.49
0.49
dna
Probability 0.32
0.32
glutathionation
Probability 0.24
0.24
protein
Probability 0.13
0.13
glutathionation
Probability 0.08
0.08
Showing 5 of 12 metabolites
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