Substrate
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Generation 1
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Generation 2
XenoSite
Amperozide cation
CCNC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
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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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CCNC(=O)N1CC[NH+](CCCC(=C2C=CC(F)=CC2=O)c2ccc(F)cc2)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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CC=NC(=O)N1CC[NH+](CCCC(=C2C=CC(F)=CC2=O)c2ccc(F)cc2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.25
0.25
epoxidation
Probability 0.06
0.06
epoxidation
Probability 0.05
0.05
epoxidation
Probability 0.04
0.04
epoxidation
Probability 0.01
0.01
Showing 5 of 7 metabolites
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