Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Amperozide cation
CCNC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)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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NC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)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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NC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)c(O)c2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC(=O)N1CC[NH+](CCCC(C2=CC=C(F)C3OC23)c2ccc(F)c(O)c2)CC1
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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.
glutathionation
Probability 0.37
0.37
glutathionation
Probability 0.36
0.36
dna
Probability 0.29
0.29
dna
Probability 0.24
0.24
protein
Probability 0.13
0.13
Showing 5 of 16 metabolites
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