Substrate
/
Generation 1
/
Generation 2
XenoSite
Azaperone
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)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
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O=C1C=CC(=[N+]2CCN(CCCC(=O)c3ccc(F)cc3)CC2)N=C1
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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
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O=C(CCCN1CC[N+](=C2C=CCC=N2)CC1)c1ccc(F)cc1
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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 0.76
0.76
dealkylation
Probability 0.76
0.76
dealkylation
Probability 0.76
0.76
4-(4-fluorophenyl)-4-oxobutanoic acid
dealkylation
Probability 0.76
0.76
dealkylation
Probability 0.57
0.57
Showing 5 of 11 metabolites
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