Substrate
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Generation 1
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Generation 2
XenoSite
Azocarmine g anion
O=S(=O)([O-])c1ccc(Nc2cc3c(nc4ccccc4[n+]3-c3ccccc3)c3ccc(S(=O)(=O)[O-])cc23)cc1
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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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O=S(=O)([O-])c1ccc(Nc2cc3c(nc4c([n+]3-c3ccccc3)=CC3OC3C=4)c3ccc(S(=O)(=O)[O-])cc23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C(=Nc2ccc(S(=O)(=O)[O-])cc2)c2cc(S(=O)(=O)[O-])ccc2-c2nc3c([n+](-c4ccccc4)c21)=CC1OC1C=3
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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.
hydrogenation
Probability 0.23
0.23
dehydration
Probability 0.20
0.20
15o
dehydration
Probability 0.20
0.20
hydrogenation
Probability 0.20
0.20
oxygen reduction
Probability 0.20
0.20
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