Substrate
/
Generation 1
/
Generation 2
/
Generation 3
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
About this model
Generation 1
Show metabolites
N=CNc1cccnc1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
N=CNC1=CC2OC2N=C1O
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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
Show metabolites
N=CNC(=CC1OC1O)C(=N)O
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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 0.88
0.88
dna
Probability 0.77
0.77
protein
Probability 0.63
0.63
glutathionation
Probability 0.36
0.36
glutathionation
Probability 0.20
0.20
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