Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
O=Nc1cc(-c2ccncc2)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
O=Nc1cc(C2=CC=NC(=O)C2=O)c[nH]c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
Nitroxyl
N=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Select a metabolite to form the next generation.
dehydration
Probability 0.34
0.34
((sup 13)n)ammonia
dehydration
Probability 0.34
0.34
15o
hydrogenation
Probability 0.34
0.34
Hydroxylamine
oxygen reduction
Probability 0.34
0.34
Hydroxylamine
nitrogen oxidation
Probability 0.01
0.01
Nitrosyl hydroxide