Substrate
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Generation 1
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Generation 2
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Generation 3
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
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Generation 1
Show metabolites
Cc1c(N)cccc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
Show metabolites
CC12OC1(N)C=CC=C2Cl
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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 3
Show metabolites
Formaldehyde
C=O
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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.44
0.44
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Tennesine hydride
dehydration
Probability 0.44
0.44
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15o
hydrogenation
Probability 0.44
0.44
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Methanol
oxygen reduction
Probability 0.44
0.44
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Methanol
hydroxylation
Probability 0.01
0.01
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<small><sup>13</small></sup>co2
Showing 5 of 6 metabolites
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