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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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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
Generation 2
Show metabolites
CC(=O)c1cc(N)ccc1OCC(O)CN
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CC(=O)C12C=C(N)C=CC1(OCC(O)CN)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.25
0.25
glutathionation
Probability 0.24
0.24
protein
Probability 0.18
0.18
glutathionation
Probability 0.01
0.01
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
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