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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N=C1N=CNC1=CC=CO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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OC=CC=C1NC=NC12NO2
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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.
epoxidation
Probability 0.22
0.22
dealkylation
Probability 0.13
0.13
dealkylation
Probability 0.07
0.07
epoxidation
Probability 0.07
0.07
nitrogen reduction
Probability 0.05
0.05
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