Substrate
/
Generation 1
XenoSite
Barasertibum
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O
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Description
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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 1
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CCN(CCCOc1ccc2c(Nc3cc(CC(=O)O)[nH]n3)ncnc2c1)CCOP(=O)(O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.68
0.68
dealkylation
Probability 0.68
0.68
Phosphoglycolic acid
dealkylation
Probability 0.68
0.68
2-(phosphonooxy)acetaldehyde
dealkylation
Probability 0.68
0.68
1,2-ethanediol, 1-(dihydrogen phosphate)
dealkylation
Probability 0.48
0.48
(11c)acetic acid
Showing 5 of 20 metabolites
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