Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc2c1O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(C3=CC4OC4(S(=O)(=O)O)C=C3)ccnc2c1O gsh prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(C3=CC4OC4(S(=O)(=O)O)C=C3)ccnc2c1O protein prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(C3=CC4OC4(S(=O)(=O)O)C=C3)ccnc2c1O cyanide prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(C3=CC4OC4(S(=O)(=O)O)C=C3)ccnc2c1O dna prediction

Generation 3

glutathionation · 0.06

*C1(S(=O)(=O)O)C=CC(c2ccnc3c(O)c(C(=CC=N)c4ccc(S(=O)(=O)O)cc4)ccc23)=CC1O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|