Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=S(=O)(O)c1ccc(-c2ccnc3c2C2OC2c2c(-c4ccc(S(=O)(=O)O)cc4)ccnc2-3)cc1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C2OC2c2c(-c3ccc(S(=O)(=O)O)cc3)ccnc21 UGT Conjugation prediction

Generation 3

glucuronidation · 0.61

*OC=CC(=C1C(=N)c2nccc(-c3ccc(S(=O)(=O)O)cc3)c2C2OC12)c1ccc(S(=O)(=O)O)cc1 |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|