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=CC=C(C=CO)c1c[nH]c(=O)c(N)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=CC=C(C=CO)C1=CNC(=O)C2(N)OC12
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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 0.36
0.36
epoxidation
Probability 0.13
0.13
hydrogenation
Probability 0.13
0.13
epoxide opening
Probability 0.08
0.08
epoxide opening
Probability 0.08
0.08
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