Substrate
/
Generation 1
XenoSite
Anagrelide
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
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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O=C1CN2CC3=C(C=CC(=O)C3=O)N=C2N1
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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.
dehydration
Probability 0.40
0.40
15o
dehydration
Probability 0.40
0.40
hydrogenation
Probability 0.40
0.40
oxygen reduction
Probability 0.40
0.40
dehydration
Probability 0.28
0.28
15o
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