Substrate
/
Generation 1
/
Generation 2
XenoSite
Annomontine
Nc1nccc(-c2nccc3c2[nH]c2ccccc23)n1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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N=C(C=CN=C(N)O)c1nccc2c1[nH]c1ccccc12
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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
Show metabolites
Isoharnstoff
N=C(N)O
CHEBI
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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
Select a metabolite to form the next generation.
epoxidation
Probability 0.14
0.14
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nitrogen oxidation
Probability 0.08
0.08
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nitrogen oxidation
Probability 0.08
0.08
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nitrogen oxidation
Probability 0.06
0.06
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dealkylation
Probability 0.04
0.04
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((sup 13)n)ammonia
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