Substrate
/
Generation 1
/
Generation 2
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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CCNC(=O)N1CC[NH+](CCCC(C2=CC=C(F)C3OC23)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(C2=CC=C(F)C3OC23)c2ccc(F)cc2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.38
0.38
glutathionation
Probability 0.38
0.38
dna
Probability 0.32
0.32
dna
Probability 0.27
0.27
protein
Probability 0.14
0.14
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