Substrate
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Generation 1
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Generation 2
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Generation 3
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=Cc3c(c(CC(=O)OCC(=O)O)c(C)n3C(=O)c3ccc(Cl)cc3)C1O2
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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=CC(NC(=O)c3ccc(Cl)cc3)=C(C(CC(=O)OCC(=O)O)=C(C)O)C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
COC12C=CC(=N)C(C(CC(=O)OCC(=O)O)=C(C)O)=C1O2
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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 4
Select a metabolite to form the next generation.
hydrolysis
Probability 0.85
0.85
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hydrolysis
Probability 0.85
0.85
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hydrolysis
Probability 0.85
0.85
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Glycolic acid
hydrogenation
Probability 0.52
0.52
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dealkylation
Probability 0.46
0.46
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Formaldehyde
Showing 5 of 81 metabolites
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