Substrate
/
Generation 1
/
Generation 2
XenoSite
Benazeprilat
O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CCc2ccccc21
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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O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CCC2=C1C=CC1OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=CC(=O)C(CCC(NC2CCC3=C(C=CC4OC34)N(CC(=O)O)C2=O)C(=O)O)=C1
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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.
dehydration
Probability 0.38
0.38
15o
dehydration
Probability 0.38
0.38
hydrogenation
Probability 0.38
0.38
oxygen reduction
Probability 0.38
0.38
dehydration
Probability 0.23
0.23
15o
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