Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Abediterol
O=c1ccc2c(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1
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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O=C1Nc2c(O)ccc(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)c2C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=CC(C(O)CNCCCCCCOCC(F)(F)c2ccccc2)=C2C1=NC(=O)C1OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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OCCCCCCOCC(F)(F)c1ccccc1
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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 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.36
0.36
5-carboxypentanol
dealkylation
Probability 0.36
0.36
6-hydroxy caproaldehyde
dealkylation
Probability 0.36
0.36
dealkylation
Probability 0.36
0.36
Hexamethylenediol
dealkylation
Probability 0.17
0.17
Showing 5 of 76 metabolites
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