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=C(S(=O)(=O)[O-])C=CC1=Nc1cc2c(nc3c([n+]2-c2ccccc2)=CC2OC2C=3)c2ccc(S(=O)(=O)[O-])cc12
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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 0.29
0.29
dehydration
Probability 0.17
0.17
15o
dehydration
Probability 0.17
0.17
hydrogenation
Probability 0.17
0.17
oxygen reduction
Probability 0.17
0.17
Showing 5 of 234 metabolites
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