Substrate
/
Generation 1
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Generation 2
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
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Generation 1
Show metabolites
COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
Fc1ccc(Cn2c(NC3CCNCC3)nc3c2=CC2OC2C=3)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Select a metabolite to form the next generation.
quinone formation
Probability 0.00
0.00
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quinone formation
Probability 0.00
0.00
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