Substrate
/
Generation 1
XenoSite
Nalidixic acid
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
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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CCn1cc(C(=O)O)c(=O)c2c1N1OC1(C)C=C2
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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 2
Select a metabolite to form the next generation.
nitrogen reduction
Probability 0.22
0.22
dealkylation
Probability 0.14
0.14
hydrogenation
Probability 0.11
0.11
dealkylation
Probability 0.08
0.08
(11c)acetic acid
dealkylation
Probability 0.08
0.08
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