Substrate
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Generation 1
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Generation 2
XenoSite
Alanylhistidine
CC(N)C(=O)NC(Cc1cnc[nH]1)C(=O)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
CC(N)C(=O)NC(CC12NC=NC1O2)C(=O)O
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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
CC(N)C(=O)NC(CC12NC3ON3C1O2)C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Select a metabolite to form the next generation.
n dealkylation
Probability 0.95
0.95
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n dealkylation
Probability 0.95
0.95
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n dealkylation
Probability 0.86
0.86
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n dealkylation
Probability 0.86
0.86
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n dealkylation
Probability 0.74
0.74
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Showing 5 of 15 metabolites
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