Substrate
/
Generation 1
XenoSite
Acemetacin
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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COC12C=c3c(CC(=O)OCC(=O)O)c(C)n(C(=O)c4ccc(Cl)cc4)c3=CC1O2
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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 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.80
0.80
hydrolysis
Probability 0.80
0.80
hydrolysis
Probability 0.80
0.80
Glycolic acid
dealkylation
Probability 0.44
0.44
Formaldehyde
dealkylation
Probability 0.44
0.44
Methanol
Showing 5 of 121 metabolites
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