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
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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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N=C1C=Cc2nc3ccc(=[NH2+])cc-3sc2C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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N=C1C=CC2=C(SC34OC3C(=[NH2+])C=CC4=N2)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.37
0.37
glutathionation
Probability 0.35
0.35
dna
Probability 0.31
0.31
protein
Probability 0.19
0.19
protein
Probability 0.12
0.12
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