Substrate
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Generation 1
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Generation 2
XenoSite
Brivanib alaninate
Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)OC(=O)C(C)N)c(C)c34)ccc2[nH]1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
CC(N)C=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Methylglyoxal
CC(=O)C=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.54
0.54
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protein
Probability 0.40
0.40
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dna
Probability 0.26
0.26
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cyanide
Probability 0.03
0.03
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