Substrate
/
Generation 1
XenoSite
Aceclofenac
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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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2,6-dcp
Oc1c(Cl)cccc1Cl
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.21
0.21
2,6-dichloro-1,4-benzenediol
oxidative dehalogenation
Probability 0.11
0.11
Acidum hydrochloricum
oxidative dehalogenation
Probability 0.11
0.11
3-chlorocatechol
hydroxylation
Probability 0.08
0.08
epoxidation
Probability 0.06
0.06
Showing 5 of 24 metabolites
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