Substrate
/
Generation 1
/
Generation 2
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=C1C=c2c(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2=NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=C2C(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)=CC3OC3(O)C2=NC1=O
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.20
0.20
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.16
0.16
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