Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)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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CCOC(=O)C1(C23C=CC=CC2O3)CCN(CCc2ccc(N)cc2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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CCOC(=O)C(CCO)(CCNCCc1ccc(N)cc1)C12C=CC=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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CCOC(=O)C(CCO)(CCNCC=C1C=CC(=N)C=C1)C12C=CC=CC1O2
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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 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.52
0.52
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hydrolysis
Probability 0.51
0.51
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A polyvinyl alcohol
hydrolysis
Probability 0.51
0.51
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hydrolysis
Probability 0.51
0.51
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dealkylation
Probability 0.22
0.22
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Showing 5 of 109 metabolites
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