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=c2sc(=O)[nH]n2CCCC(=O)O)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)CSC12C=C(N=c3sc(=O)[nH]n3CCCC(=O)O)C(F)=CC1(Cl)O2
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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.
dna
Probability 0.21
0.21
dna
Probability 0.21
0.21
dna
Probability 0.17
0.17
glutathionation
Probability 0.13
0.13
glutathionation
Probability 0.13
0.13
Showing 5 of 16 metabolites
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