Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anthraniloyl-coa
CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(=O)C(=O)C=C1N
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(=O)C(=O)C2OC12N
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
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NCCSC(=O)C1=CC(=O)C(=O)C2OC12N
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.68
0.68
((sup 13)n)ammonia
dealkylation
Probability 0.68
0.68
dealkylation
Probability 0.62
0.62
((sup 13)n)ammonia
dealkylation
Probability 0.62
0.62
dealkylation
Probability 0.62
0.62
Showing 5 of 6 metabolites
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