Substrate
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Generation 1
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Generation 2
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Generation 3
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=C(N)C(=O)C1=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
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NC(=O)C1=CC=C(N)C(=O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.39
0.39
protein
Probability 0.20
0.20
glutathionation
Probability 0.17
0.17
glutathionation
Probability 0.10
0.10
protein
Probability 0.05
0.05
Showing 5 of 8 metabolites
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