Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acetochlor
CCOCN(C(=O)CCl)c1c(C)cccc1CC
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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<em>n</em>-(2-ethyl-6-methylphenyl)-2-chloroacetamide
CCc1cccc(C)c1NC(=O)CCl
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC=C1C=CC=C(C)C1=NC(=O)CCl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CC=C1C(=NC(=O)CCl)C(C)=CC2OC12
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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 0.90
0.90
glutathionation
Probability 0.54
0.54
glutathionation
Probability 0.41
0.41
dna
Probability 0.37
0.37
dna
Probability 0.36
0.36
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