Substrate
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Generation 1
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Generation 2
XenoSite
Aminohippuric acid
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
Generation 1
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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
Generation 2
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NC(=O)C1=CC(=O)C(N)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
dehydration
Probability 0.37
0.37
dehydration
Probability 0.37
0.37
15o
hydrogenation
Probability 0.37
0.37
oxygen reduction
Probability 0.37
0.37
dehydration
Probability 0.29
0.29
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