Substrate
/
Generation 1
/
Generation 2
XenoSite
Azabenzimidazole
c1cnc2nc[nH]c2c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Nc1cccnc1N=C=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC12C=CC=NC1(N=C=O)O2
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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.
dealkylation
Probability 0.23
0.23
((sup 13)n)ammonia
dealkylation
Probability 0.23
0.23
hydrogenation
Probability 0.15
0.15
epoxidation
Probability 0.14
0.14
hydrogenation
Probability 0.13
0.13
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