Substrate
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Generation 1
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
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Generation 1
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CC1=C(CC(=O)OCC(=O)O)C2=CC(=O)C=CC2=N1
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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 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.84
0.84
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hydrolysis
Probability 0.84
0.84
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hydrolysis
Probability 0.84
0.84
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Glycolic acid
hydrogenation
Probability 0.40
0.40
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hydrogenation
Probability 0.24
0.24
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Showing 5 of 86 metabolites
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