Substrate
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Generation 1
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Generation 2
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Generation 3
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
COc1ccnc(C(N)=O)c1OC(C)=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
COC12C=CN=C(C(N)=O)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 3
Show metabolites
COC12C=CN=C(C(N)=O)C1(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 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.47
0.47
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Formaldehyde
dealkylation
Probability 0.47
0.47
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Methanol
dealkylation
Probability 0.47
0.47
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dealkylation
Probability 0.47
0.47
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Formic acid
epoxide opening
Probability 0.34
0.34
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Showing 5 of 50 metabolites
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