Substrate
/
Generation 1
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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)CSC12C=C(N=c3sc(=O)n4n3CCCC4)C(F)=CC1(Cl)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
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
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Generation 3
Select a metabolite to form the next generation.
n dealkylation
Probability 0.71
0.71
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Succinic acid
n dealkylation
Probability 0.71
0.71
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Xyrem
n dealkylation
Probability 0.71
0.71
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Succinic semialdehyde
n dealkylation
Probability 0.08
0.08
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n dealkylation
Probability 0.08
0.08
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