Substrate
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Generation 1
/
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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N=C1N=C(NC2CC2)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 2
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N=C1N=C2C(=NC(=O)N2C2C=CC(C(=O)O)C2)C2(NC3CC3)ON12
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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 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.13
0.13
dealkylation
Probability 0.13
0.13
dealkylation
Probability 0.13
0.13
dehydrogenation
Probability 0.08
0.08
dealkylation
Probability 0.05
0.05
Showing 5 of 89 metabolites
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