Substrate
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Generation 1
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Generation 2
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Generation 3
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
Show metabolites
NC12OC1C(c1ccncc1)=CNC2=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
NC(=O)C1(N)OC1C(=C=O)c1ccncc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC(=O)C1(N)OC1C(=C=O)C1=CC=NC(=O)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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.33
0.33
dehydration
Probability 0.33
0.33
15o
hydrogenation
Probability 0.33
0.33
oxygen reduction
Probability 0.33
0.33
hydrogenation
Probability 0.14
0.14
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