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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O=S(=O)([O-])c1ccc([NH+]=c2cc3n(C4=CC5OC5C=C4)c4ccccc4nc-3c3ccc(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=[N+]=c1cc2n(C3=CC4OC4C=C3)c3ccccc3nc-2c2ccc(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.
dehydration
Probability 0.18
0.18
15o
dehydration
Probability 0.18
0.18
hydrogenation
Probability 0.18
0.18
oxygen reduction
Probability 0.18
0.18
hydrogenation
Probability 0.14
0.14
Showing 5 of 221 metabolites
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