Substrate
/
Generation 1
/
Generation 2
XenoSite
Aripiprazole
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
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=C1CCc2ccc(OCCCCN3CCN(C45C=CC=C(Cl)C4(Cl)O5)CC3)cc2N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCCCN1CCN(C23C=CC=C(Cl)C2(Cl)O3)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 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.35
0.35
dealkylation
Probability 0.35
0.35
dealkylation
Probability 0.34
0.34
Butyric acid
dealkylation
Probability 0.34
0.34
Butanal
dealkylation
Probability 0.34
0.34
Propyl carbinol
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