Substrate
/
Generation 1
XenoSite
Barasertibum
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O
CHEBI
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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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1-amino-3-fluorobenzene
Nc1cccc(F)c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
quinone formation
Probability 0.34
0.34
quinone formation
Probability 0.08
0.08
2-hydroxy-4-imino-2,5-cyclohexadienone
quinone formation
Probability 0.03
0.03
quinone formation
Probability 0.01
0.01
quinone formation
Probability 0.01
0.01
Showing 5 of 9 metabolites
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