Substrate
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Generation 1
XenoSite
Almitrine
C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
Allyl alcohol
C=CCO
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.03
0.03
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Ethene
dealkylation
Probability 0.03
0.03
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Carbomethene
dealkylation
Probability 0.03
0.03
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dealkylation
Probability 0.03
0.03
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Methanol
dealkylation
Probability 0.03
0.03
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Formic acid
Showing 5 of 7 metabolites
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