Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Acecainidum
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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CCN(CC)CCNC(=O)C12C=CC(NC(C)=O)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCN(CC)CC=O
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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 3
Show metabolites
Glycolaldehyde
O=CCO
CHEBI
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Description
▾
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 0.49
0.49
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Macrogol
hydroxylation
Probability 0.04
0.04
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dealkylation
Probability 0.03
0.03
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Methanol
dealkylation
Probability 0.03
0.03
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<small><sup>13</small></sup>co2
dealkylation
Probability 0.03
0.03
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Formic acid
Showing 5 of 13 metabolites
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