Substrate
/
Generation 1
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)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
Show metabolites
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CC3=CC4OC4(F)C=C3)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
Select a metabolite to form the next generation.
dealkylation
Probability 0.55
0.55
Formaldehyde
dealkylation
Probability 0.55
0.55
Methanol
dealkylation
Probability 0.55
0.55
Formic acid
dealkylation
Probability 0.55
0.55