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(=O)NC=C(c2ccncc2)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1NC=C(c2ccncc2)C(=O)C12NO2
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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.
nitrogen reduction
Probability 0.27
0.27
dehydration
Probability 0.23
0.23
15o
dehydration
Probability 0.23
0.23
hydrogenation
Probability 0.23
0.23
oxygen reduction
Probability 0.23
0.23
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