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
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
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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Nc1cc(C2=CC3ON3C=C2)c[nH]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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Nc1cc(C2=CC(=O)ONC=C2)c[nH]c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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N=C1C=C(C2=CC(=O)ONC=C2)C(=O)NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
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N=C1C=C(C(C=C=O)=CC(=O)ON)C(=O)NC1=O
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dealkylation · 0.02
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation