Substrate
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Generation 1
/
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
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Generation 1
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Cc1c(O)cccc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC12OC1(O)C=CC=C2Cl
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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
Select a metabolite to form the next generation.
dealkylation
Probability 0.53
0.53
Formaldehyde
dealkylation
Probability 0.53
0.53
Methanol
dealkylation
Probability 0.53
0.53
hydrogenation
Probability 0.25
0.25
epoxide opening
Probability 0.18
0.18
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