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
▾
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 1
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CC(=O)Nc1ccc(C(=O)NCCO)cc1
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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
CC(=O)NC12C=CC(C(=O)NCCO)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
Macrogol
OCCO
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.
dealkylation
Probability 0.05
0.05
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Methanol
dealkylation
Probability 0.05
0.05
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Formic acid
dealkylation
Probability 0.05
0.05
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Methandiol
hydroxylation
Probability 0.04
0.04
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Glycolic acid
hydroxylation
Probability 0.04
0.04
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Showing 5 of 10 metabolites
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