Substrate
/
Generation 1
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Generation 2
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Generation 3
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(N=C2N1)C(=O)C=C(Cl)C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1CN2CC3=C(C(=O)C=C(Cl)C3=O)N3OC23N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC(=O)CN1CC2=C(C(=O)C=C(Cl)C2=O)N2OC12O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.54
0.54
protein
Probability 0.49
0.49
protein
Probability 0.24
0.24
glutathionation
Probability 0.23
0.23
dna
Probability 0.09
0.09
Showing 5 of 8 metabolites
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