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
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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 1
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N-(2-methyl-3-chloro-4-hydroxyphenyl)anthranilic acid
Cc1c(Nc2ccccc2C(=O)O)ccc(O)c1Cl
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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Cc1c(NC2=CC3OC3C=C2C(=O)O)ccc(O)c1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.51
0.51
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glutathionation
Probability 0.50
0.50
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dna
Probability 0.34
0.34
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glutathionation
Probability 0.32
0.32
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protein
Probability 0.26
0.26
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Showing 5 of 12 metabolites
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