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
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COc1ccc(NC(=O)c2ccc(Cl)cc2)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 2
Show metabolites
COc1ccc(NC(=O)c2ccc(Cl)cc2)c(C2(CC(=O)OCC(=O)O)OC2(C)O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
4-chloranylbenzaldehyde
O=Cc1ccc(Cl)cc1
CHEBI
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quinone formation · 0.06
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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