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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>h</em>,3<em>h</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]acetic acid
O=C(O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(O)CSC1=CC(N=c2sc(=O)n3n2CCCC3)=C(F)C(=O)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 0.75
0.75
dna
Probability 0.44
0.44
protein
Probability 0.27
0.27
glutathionation
Probability 0.23
0.23
Showing 5 of 8 metabolites
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