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
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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Nc1cc2c(nc3ccccc3[n+]2-c2ccccc2)c2ccc(S(=O)(=O)[O-])cc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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[NH2+]=c1cc2n(-c3ccccc3)c3c(nc-2c2ccc(S(=O)(=O)[O-])cc12)=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.
hydroxylation
Probability 0.24
0.24
hydroxylation
Probability 0.07
0.07
epoxidation
Probability 0.06
0.06
epoxidation
Probability 0.06
0.06
dealkylation
Probability 0.06
0.06
Showing 5 of 142 metabolites
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