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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
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
About this model
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
About this model
Generation 3
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CC1=C(Cl)C(=O)C(=O)C=C1NC1=CC2OC2C=C1C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.61
0.61
glutathionation
Probability 0.42
0.42
glutathionation
Probability 0.36
0.36
glutathionation
Probability 0.29
0.29
glutathionation
Probability 0.26
0.26
Showing 5 of 16 metabolites
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