Substrate
/
Generation 1
/
Generation 2
XenoSite
Action
COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
COC(=O)CSC1=C(Cl)C2OC2(F)C(N=c2sc(=O)n3n2CCCC3)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
O=CCSC1=C(Cl)C2OC2(F)C(N=c2sc(=O)n3n2CCCC3)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.54
0.54
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dna
Probability 0.54
0.54
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glutathionation
Probability 0.40
0.40
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glutathionation
Probability 0.40
0.40
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protein
Probability 0.23
0.23
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Showing 5 of 20 metabolites
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