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=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
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O=C1C=C(C(O)CNCCCCCCOCC(F)(F)c2ccccc2)C2=C(NC(=O)C3OC23)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.57
0.57
dealkylation
Probability 0.47
0.47
dealkylation
Probability 0.47
0.47
dealkylation
Probability 0.47
0.47
dealkylation
Probability 0.47
0.47
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