Substrate
/
Generation 1
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Generation 2
XenoSite
Alectinib cation
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.[H+]
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
Show metabolites
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3c(c1C2=O)C1OC1C(C#N)=C3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCc1cc2c(cc1N1CCC(NCCOCC=O)CC1)C(C)(C)c1[nH]c3c(c1C2=O)C1OC1C(C#N)=C3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.40
0.40
glutathionation
Probability 0.28
0.28
dna
Probability 0.26
0.26
dna
Probability 0.18
0.18
protein
Probability 0.15
0.15
Showing 5 of 12 metabolites
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