Substrate
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Generation 1
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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
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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 1
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CCC(N)c1ccc(O)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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CCC(N)C12C=CC(O)=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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.23
0.23
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dealkylation
Probability 0.14
0.14
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Propanamide
dealkylation
Probability 0.14
0.14
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2-aminopropanol
dealkylation
Probability 0.14
0.14
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Propylamine
dealkylation
Probability 0.14
0.14
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Showing 5 of 62 metabolites
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