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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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Nc1cc(C2=CC=NC3OC23)c[nH]c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
NC12OC1C(C1=CC=NC3OC13)=CNC2=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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.30
0.30
dealkylation
Probability 0.26
0.26
((sup 13)n)ammonia
dealkylation
Probability 0.26
0.26
epoxidation
Probability 0.19
0.19
dealkylation
Probability 0.13
0.13
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