Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Aminohippurate
Nc1ccc(C(=O)NCC(=O)[O-])cc1
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
4-aminobenzamide
NC(=O)c1ccc(N)cc1
CHEBI
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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
NC(=O)C12C=CC(N)=CC1O2
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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
NC(=O)C1C=CC(N)=CC1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 4
Select a metabolite to form the next generation.
n dealkylation
Probability 0.02
0.02
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((sup 13)n)ammonia
n dealkylation
Probability 0.02
0.02
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n dealkylation
Probability 0.01
0.01
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((sup 13)n)ammonia
n dealkylation
Probability 0.01
0.01
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