Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Amperozide cation
CCNC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CHEBI
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Description
▾
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
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CC1ON1C(=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
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Generation 4
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CC1ON1C(=O)N(CCNCCCC(=C1C=CC(F)=CC1=O)c1ccc(F)cc1)CC(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 5
Maximum generation reached — metabolites here can't start another hop.
glucuronidation
Probability 0.99
0.99