Substrate
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Generation 1
/
Generation 2
XenoSite
Amfepramonum
CCN(CC)C(C)C(=O)c1ccccc1
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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Acetylbenzoyl
CC(=O)C(=O)c1ccccc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC(=O)C(=O)C12C=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.
dehydration
Probability 0.43
0.43
dehydration
Probability 0.43
0.43
15o
hydrogenation
Probability 0.43
0.43
oxygen reduction
Probability 0.43
0.43
dehydration
Probability 0.40
0.40
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