Substrate
/
Generation 1
/
Generation 2
XenoSite
Acetylaminoantipyrine
CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
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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CC(=O)Nc1c(C)n(C)n(C23C=CC=CC2O3)c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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OC12C=CC=CC1O2
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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.
epoxide opening
Probability 0.37
0.37
epoxide opening
Probability 0.37
0.37
1,2-dihydrobenzene-1,2-diol
hydrogenation
Probability 0.28
0.28
dehydration
Probability 0.24
0.24
Arene oxide
dehydration
Probability 0.24
0.24
Showing 5 of 33 metabolites
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