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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N=C1C=C(c2ccncc2)C(=O)NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=C(C=C(C(=O)O)c1ccncc1)C(N)=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 0.15
0.15
hydrolysis
Probability 0.11
0.11
((sup 13)n)ammonia
hydrolysis
Probability 0.11
0.11
hydrolysis
Probability 0.11
0.11
hydrogenation
Probability 0.10
0.10
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