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
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Generation 1
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CCCC(=O)N=C1C=CC(=O)C(C(C)=O)=C1
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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 2
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CCCC(=O)N=C1C=CC(=O)C(C(C)O)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CCCC(=O)N=C1C=C(C(C)O)C(=O)C2OC12
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epoxidation · 0.06
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation