Substrate
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Generation 1
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Generation 2
XenoSite
Tolfenamic acid
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
CHEBI
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Description
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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 1
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Cc1c(Cl)cc(O)cc1Nc1ccccc1C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Cc1c(Cl)cc(O)cc1N=C1C=CC(=O)C=C1C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.05
0.05
epoxidation
Probability 0.05
0.05
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.01
0.01
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