Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acebutolol
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
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
CC(=O)c1cc(N)ccc1OCC(O)CNC(C)C
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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)C12C=C(N)C=CC1(OCC(O)CNC(C)C)O2
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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)C12C=C(N)C=CC1(OCC(O)C=O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.48
0.48
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glutathionation
Probability 0.44
0.44
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dna
Probability 0.17
0.17
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cyanide
Probability 0.06
0.06
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