Substrate
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Generation 1
XenoSite
Azure c cation
CNc1ccc2nc3ccc(N)cc3[s+]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
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C[NH+]=c1ccc2nc3c(sc-2c1)=CC1(N)OC1C=3
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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 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.30
0.30
Formaldehyde
dealkylation
Probability 0.30
0.30
Methanol
dealkylation
Probability 0.30
0.30
dealkylation
Probability 0.30
0.30
Formic acid
epoxide opening
Probability 0.07
0.07
Showing 5 of 73 metabolites
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