Substrate
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Generation 1
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Generation 2
XenoSite
Alclofenac
C=CCOc1ccc(CC(=O)O)cc1Cl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
Propene
C=CC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
Show metabolites
Epoxypropane
CC1CO1
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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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 0.35
0.35
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Lactic acid
dealkylation
Probability 0.35
0.35
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Lactaldehyde
dealkylation
Probability 0.35
0.35
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(<i>s</i>)-propane-1,2-diol
dealkylation
Probability 0.22
0.22
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Hydroxyacetone
dealkylation
Probability 0.22
0.22
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(<i>s</i>)-propane-1,2-diol
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