Substrate
/
Generation 1
/
Generation 2
XenoSite
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
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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Nc1cc(C2=CC3ON3C=C2)c[nH]c1=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 2
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NC1=CC(=C2C=CN3OC3=C2)C=NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.26
0.26
dealkylation
Probability 0.06
0.06
dealkylation
Probability 0.04
0.04
((sup 13)n)ammonia
dealkylation
Probability 0.04
0.04
dealkylation
Probability 0.01
0.01
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