Substrate
/
Generation 1
XenoSite
Flufenamic acid
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
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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Benzotrifluoride
FC(F)(F)c1ccccc1
CHEBI
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Description
▾
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
Select a metabolite to form the next generation.
hydroxylation
Probability 0.25
0.25
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4-hydroxybenzotrifluoride
hydroxylation
Probability 0.15
0.15
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3-(trifluoromethyl)phenol
oxidative dehalogenation
Probability 0.12
0.12
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Hydrogen fluoride
oxidative dehalogenation
Probability 0.12
0.12
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hydroxylation
Probability 0.04
0.04
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Showing 5 of 34 metabolites
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