Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
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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COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)C=CC3OC43)CC2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
Fc1ccc(Cn2c(NC3CCNCC3)nc3c2C=CC2OC32)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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C1=CC2OC2C2=NC(=NC3CCNCC3)N=C12
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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 0.42
0.42
glutathionation
Probability 0.34
0.34
dna
Probability 0.33
0.33
dna
Probability 0.21
0.21
protein
Probability 0.10
0.10
Showing 5 of 12 metabolites
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