Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Alectinib cation
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.[H+]
CHEBI
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Description
▾
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
CC=C1C=C2C(=O)c3c([nH]c4c3C=CC3(C#N)OC43)C(C)(C)C2=CC1=NCCC(CC)N1CCOCC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC=C1C=C2C(=O)c3c([nH]c4c3C=CC3(C#N)OC43)C(C)(C)C2=CC1=NCCC(CC)NCCOCC(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Show metabolites
*C1(C#N)C=Cc2c([nH]c3c2C(=O)C2=CC(=CC)C(=NCCC(CC)NCCOCC(=O)O)C=C2C3(C)C)C1O |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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dna · 0.11