Substrate
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Generation 1
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Generation 2
XenoSite
Abacavir carboxylate
Nc1nc(NC2CC2)c2ncn(C3C=CC(C(=O)O)C3)c2n1
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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Nc1nc(NC2CC2O)c2ncn(C3C=CC(C(=O)O)C3)c2n1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC1=NC(=NC2CC2O)C2=NC(=O)N(C3C=CC(C(=O)O)C3)C2=N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.92
0.92
dealkylation
Probability 0.92
0.92
dealkylation
Probability 0.92
0.92
dealkylation
Probability 0.33
0.33
dealkylation
Probability 0.33
0.33
Showing 5 of 13 metabolites
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