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
Generation 1
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COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)C1=CC=C(Cl)C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COc1ccc(NC(=O)C2=CC=C(Cl)C3OC23)c(C(CC(=O)OCC(=O)O)=C(C)O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.29
0.29
epoxidation
Probability 0.25
0.25
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
Showing 5 of 9 metabolites
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