Substrate
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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
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CCc1cc2c(cc1N1CCC(O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
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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(O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.05
0.05
epoxidation
Probability 0.04
0.04
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.01
0.01
Showing 5 of 9 metabolites
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