Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anagrelide
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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O=C1CN2CC3=C(N=C2N1)C(=O)C=C(Cl)C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1CN2CC3=C(C(=O)C=C(Cl)C3=O)N3OC23N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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NC(=O)CN1CC2=C(C(=O)C=C(Cl)C2=O)N2OC12O
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dealkylation · 0.88
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation