Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Aminohippuric acid
Nc1ccc(C(=O)NCC(=O)O)cc1
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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NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O
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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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NC1=CC=C(C(=O)NCC(=O)O)C(O)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC12OC1C=C(C(=O)NCC(=O)O)C(O)C2=O
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epoxidation · 0.03
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation