Substrate
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Generation 1
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Generation 2
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Generation 3
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)C=CC1(C#N)OC31
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCC1=CC2=C(C(=O)C1=[N+]1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3c(c1C2=O)C=CC1(C#N)OC31
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CCC1=CC2=C(C(=O)C1=[N+]1CCC(NCCOCCO)CC1)C(C)(C)c1[nH]c3c(c1C2=O)C=CC1(C#N)OC31
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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 0.29
0.29
dna
Probability 0.22
0.22
dna
Probability 0.10
0.10
protein
Probability 0.09
0.09
glutathionation
Probability 0.04
0.04
Showing 5 of 12 metabolites
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