Substrate
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Generation 1
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Generation 2
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Generation 3
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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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O=CCCCOc1ccc2c(c1)NC(=O)CC2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1CCC2=CC(=O)C(=O)C=C2N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C1CCC2=CC(=O)C(=O)C3OC23N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.18
0.18
dna
Probability 0.11
0.11
glutathionation
Probability 0.11
0.11
protein
Probability 0.10
0.10
protein
Probability 0.08
0.08
Showing 5 of 8 metabolites
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