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=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
Show metabolites
N=C1C(=O)NC=C(C2=CC=NC3OC23)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 3
Show metabolites
N=C1C(=O)NC=C(C2=CC=NC3OC23)C1O
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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 0.46
0.46
dna
Probability 0.34
0.34
glutathionation
Probability 0.33
0.33
protein
Probability 0.28
0.28
dna
Probability 0.24
0.24
Showing 5 of 8 metabolites
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