Substrate
/
Generation 1
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
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Generation 1
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4-(4-fluorophenyl)-4-oxobutanoic acid
O=C(O)CCC(=O)c1ccc(F)cc1
CHEBI
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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
Select a metabolite to form the next generation.
hydrogenation
Probability 0.40
0.40
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hydroxylation
Probability 0.05
0.05
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dealkylation
Probability 0.04
0.04
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Propionic acid
dealkylation
Probability 0.04
0.04
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Hydracrylic acid
dealkylation
Probability 0.04
0.04
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4-fluorobenzoic acid
Showing 5 of 55 metabolites
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