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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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
CC(O)C(c1ccc(F)cc1)c1ccc(F)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Select a metabolite to form the next generation.
epoxidation
Probability 0.53
0.53
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epoxidation
Probability 0.02
0.02
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epoxidation
Probability 0.01
0.01
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