Substrate
/
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
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
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
dna
Probability 0.33
0.33
protein
Probability 0.25
0.25
glutathionation
Probability 0.15
0.15
cyanide
Probability 0.13
0.13
protein
Probability 0.09
0.09
Showing 5 of 12 metabolites
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