Substrate
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Generation 1
/
Generation 2
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
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O=C(O)CCNC(=O)c1ccc(N=NC2=CC3OC3(O)C(C(=O)O)=C2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Malonic acid
O=C(O)CC(=O)O
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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.06
0.06
15o
dehydration
Probability 0.06
0.06
Hydracrylic acid
hydrogenation
Probability 0.06
0.06
oxygen reduction
Probability 0.06
0.06
dealkylation
Probability 0.04
0.04
(11c)acetic acid
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