Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Azilsartan
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)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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CCOc1nc2cccc(C(=O)O)c2n1CC1=CC=C(c2ccccc2-c2noc(=O)[nH]2)C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=c1[nH]c(-c2ccccc2C2=CC=C(CO)C3OC23)no1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C1C=CC(=O)C(c2noc(=O)[nH]2)=C1C1=CC=C(CO)C2OC12
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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 4
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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