Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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Desmethylastemizole
Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Oc1ccc(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
Generation 3
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O=C(O)CC(CCNCCc1ccc(O)cc1)Nc1nc2c(n1Cc1ccc(F)cc1)=CC1OC1C=2
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dealkylation · 0.56
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation