Substrate
/
Generation 1
/
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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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
Generation 2
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C=c1c(=CC(=O)OCC(=O)O)c2c(n1C(=O)c1ccc(Cl)cc1)=CC1OC1(OC)C=2
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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 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.67
0.67
hydrolysis
Probability 0.67
0.67
hydrolysis
Probability 0.67
0.67
Glycolic acid
hydrolysis
Probability 0.27
0.27
hydrolysis
Probability 0.27
0.27
4-chloro-benzoic acid
Showing 5 of 117 metabolites
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