Substrate
/
Generation 1
/
Generation 2
XenoSite
1-phenyl-1-propanamine
CCC(N)c1ccccc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
CCC(N)C12C=CC=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
2-aminopropanol
CCC(N)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.30
0.30
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Propionic acid
dealkylation
Probability 0.30
0.30
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dealkylation
Probability 0.30
0.30
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Propanal
dealkylation
Probability 0.30
0.30
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((sup 13)n)ammonia
hydroxylation
Probability 0.19
0.19
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Showing 5 of 29 metabolites
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