Substrate
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Generation 1
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Generation 2
XenoSite
Adavelt
COc1ccnc(C(=O)NC(C)C(=O)OC(C)C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC(C)=O
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
COC12C=CN=C(C(=O)NC(C)C(=O)OC(C)C(c3ccc(F)cc3)c3ccc(F)cc3)C1(OC(C)=O)O2
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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 2
Show metabolites
An oxidized polyvinyl alcohol
CC=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.60
0.60
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dna
Probability 0.44
0.44
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protein
Probability 0.42
0.42
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cyanide
Probability 0.04
0.04
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