Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CCOC(=O)C1(c2ccccc2)CCN(CCC2=CC(=O)C(=N)C=C2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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CCOC(=O)C1(c2ccccc2)CCN(CCC23C=CC(=N)C(=O)C2O3)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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CCOC(=O)C(CC=O)(CCNCCC12C=CC(=N)C(=O)C1O2)c1ccccc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
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CCOC(=O)C(CC=O)(CCNCCC12OC1C(=O)C(=N)C1OC12)c1ccccc1
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epoxidation · 0.22
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation