Substrate
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Generation 1
XenoSite
Adavelt
COc1ccnc(C(=O)NC(C)C(=O)OC(C)C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC(C)=O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
COC12C=CN=C(C(=O)NC(C)C(=O)OC(C)C(c3ccc(F)cc3)c3ccc(F)cc3)C1(OC(C)=O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.82
0.82
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hydrolysis
Probability 0.82
0.82
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hydrolysis
Probability 0.82
0.82
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hydrolysis
Probability 0.41
0.41
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(11c)acetic acid
hydrolysis
Probability 0.41
0.41
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An oxidized polyvinyl alcohol
Showing 5 of 145 metabolites
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