Substrate
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Generation 1
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Generation 2
XenoSite
Acemetacin
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
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
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
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Generation 2
Show metabolites
COC12C=c3c(CC(=O)OCC(=O)O)c(C)n(C(=O)C4=CC(=O)C(Cl)=CC4=O)c3=CC1O2
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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 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.80
0.80
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hydrolysis
Probability 0.80
0.80
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hydrolysis
Probability 0.80
0.80
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Glycolic acid
dealkylation
Probability 0.33
0.33
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Formaldehyde
dealkylation
Probability 0.33
0.33
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Methanol
Showing 5 of 126 metabolites
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