Substrate
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Generation 1
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Generation 2
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Generation 3
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=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
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Generation 2
Show metabolites
COC(=O)CSC1=CC2(N=c3sc(=O)n4n3CCCC4)OC2(F)C(=O)C1=O
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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 3
Show metabolites
O=CCSC1=CC2(N=c3sc(=O)n4n3CCCC4)OC2(F)C(=O)C1=O
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hydrolysis · 0.64
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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