Substrate
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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
Show metabolites
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)CCNC(=O)C12C=CC(=NC(C)=O)C(=O)C1O2
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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
CC(=O)N=C1C=CC2(C(=O)NCC(=O)O)OC2C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 4
Select a metabolite to form the next generation.
n dealkylation
Probability 0.63
0.63
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n dealkylation
Probability 0.63
0.63
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Oxalic acid
n dealkylation
Probability 0.63
0.63
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Glycolic acid
n dealkylation
Probability 0.63
0.63
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Glyoxylic acid
n dealkylation
Probability 0.25
0.25
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(11c)acetic acid
Showing 5 of 8 metabolites
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