Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(c2ccc(S(=O)(=O)O)cc2)c2ccc3c(c2=N1)=NC(=O)C=C3c1ccc(S(=O)(=O)O)cc1 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(c2ccc(S(=O)(=O)O)cc2)c2ccc3c(c2=N1)=NC(=O)C1OC31c1ccc(S(=O)(=O)O)cc1 N-Dealkylation prediction

Generation 3

dealkylation · 0.15

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(C2(c3ccc(S(=O)(=O)O)cc3)OC2C(=O)O)=CC=C2C(c3ccc(S(=O)(=O)O)cc3)=CC(=O)N=C12