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
About this model
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Generation 1
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C=CCNc1nc(NCC=C)nc(N2CCN(C(C3=CC(=O)C(=O)C=C3)c3ccc(F)cc3)CC2)n1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Select a metabolite to form the next generation.
n dealkylation
Probability 0.68
0.68
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Acrylic acid
n dealkylation
Probability 0.68
0.68
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Acrolein
n dealkylation
Probability 0.68
0.68
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n dealkylation
Probability 0.68
0.68
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Allyl alcohol
n dealkylation
Probability 0.60
0.60
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Showing 5 of 20 metabolites
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