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
Generation 1
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Nc1nc(NC2CC2)c2c(n1)=[N+](C1C=CC(C(=O)O)C1)C(=O)N=2
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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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Nc1nc(NC2CC2)c2c(n1)=NC(=O)N=2
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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 0.99
0.99
dealkylation
Probability 0.99
0.99
dealkylation
Probability 0.99
0.99
Hydroxycyclopropane
dealkylation
Probability 0.87
0.87
dealkylation
Probability 0.13
0.13
Showing 5 of 11 metabolites
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