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
Generation 1
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COC(=O)CSc1cc(N=c2[nH]n(CCCC=O)c(=O)s2)c(F)cc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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COC(=O)CSC1=C(Cl)C(=O)C(F)=C(N=c2[nH]n(CCCC=O)c(=O)s2)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.83
0.83
protein
Probability 0.76
0.76
protein
Probability 0.41
0.41
dna
Probability 0.22
0.22
glutathionation
Probability 0.22
0.22
Showing 5 of 12 metabolites
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