Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Azure c cation
CNc1ccc2nc3ccc(N)cc3[s+]c2c1
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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Thionine(1+)
Nc1ccc2nc3ccc(N)cc3[s+]c2c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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NC12C=c3sc4cc(=[NH2+])ccc-4nc3=CC1O2
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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
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[NH2+]=c1ccc2nc3c(sc-2c1)=CC1(O)OC1C=3
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dealkylation · 0.15
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation