Substrate
/
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)C1=CC(=O)C(N=Nc2ccc(O)c(C(=O)O)c2)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(O)CCNC(=O)C12OC1C(=O)C(N=Nc1ccc(O)c(C(=O)O)c1)=CC2=O
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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.
hydrolysis
Probability 0.29
0.29
Bala
hydrolysis
Probability 0.29
0.29
hydrolysis
Probability 0.29
0.29
hydrogenation
Probability 0.25
0.25
dehydration
Probability 0.19
0.19
15o
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