Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
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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Nc1ccc(CCO)cc1
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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 2
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Nc1ccc(C=CO)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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NC1=CC(=O)C(C=CO)=CC1=O
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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.
protein
Probability 0.62
0.62
glutathionation
Probability 0.60
0.60
glutathionation
Probability 0.46
0.46
protein
Probability 0.18
0.18
dna
Probability 0.17
0.17
Showing 5 of 8 metabolites
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