Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid stable oxygenation prediction

Bathophenanthroline disulfonic acid unstable oxygenation prediction

Bathophenanthroline disulfonic acid dehydrogenation prediction

Bathophenanthroline disulfonic acid reduction prediction

Bathophenanthroline disulfonic acid hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc([SH](=O)(O)O)cc4)ccnc23)cc1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(C=CO)c2ccc([SH](=O)(O)O)cc2)C=Cc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc21 Epoxidation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(c2ccc([SH](=O)(O)O)cc2)C2OC2O)C=Cc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc21 Quinonation prediction

Generation 4

quinone formation · 0.00

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(C2=CC=C([SH](=O)(O)O)C(=O)C2=O)C2OC2O)C=Cc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc21