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
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
Show metabolites
N=CC=C(c1c[nH]c(=O)c(N)c1)C1OC1O
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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
Show metabolites
NCC=C(c1c[nH]c(=O)c(N)c1)C1OC1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.92
0.92
dna
Probability 0.87
0.87
protein
Probability 0.79
0.79
glutathionation
Probability 0.53
0.53
dna
Probability 0.10
0.10
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