Substrate
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Generation 1
XenoSite
Adipiodone dianion
O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I)Nc1c(I)cc(I)c(C(=O)[O-])c1I
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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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Nc1c(I)cc(I)c(C(=O)[O-])c1I
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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
Select a metabolite to form the next generation.
oxidative dehalogenation
Probability 0.39
0.39
Hydrogen iodide
oxidative dehalogenation
Probability 0.39
0.39
oxidative dehalogenation
Probability 0.37
0.37
Hydrogen iodide
oxidative dehalogenation
Probability 0.37
0.37
oxidative dehalogenation
Probability 0.22
0.22
Hydrogen iodide
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