Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
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
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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
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Generation 3
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CCCC(=O)N1OC12C=CC(=O)C(C(C)O)=C2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 4
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CCCC(=O)NOC1(O)C=CC(=O)C(C(C)O)=C1
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dealkylation · 0.92
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation