Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Benazeprilat
O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CCc2ccccc21
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
O=C(O)CN1C(=O)C(NC(CCc2ccc(O)cc2)C(=O)O)CCc2ccccc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(O)C(CCc1ccc(O)cc1)NC1CC=c2ccccc2=NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1CC=c2ccccc2=NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00