Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Aceclofenac
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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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O=C(O)COC(=O)CC1=CC2OC2C=C1Nc1c(Cl)cccc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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O=C(O)COC(=O)CC1=CC2OC2C=C1NC1=C(Cl)C(=O)C=CC1=O
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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
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Glycolic acid
O=C(O)CO
CHEBI
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Description
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hydrolysis · 0.71
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation