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(-c2ccnc3c4c(ccc23)C2(c3ccc(S(=O)(=O)O)cc3)OC2C=N4)cc1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(c1O)N=CC1OC21c1ccc(S(=O)(=O)O)cc1 gsh prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(c1O)N=CC1OC21c1ccc(S(=O)(=O)O)cc1 protein prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(c1O)N=CC1OC21c1ccc(S(=O)(=O)O)cc1 cyanide prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(c1O)N=CC1OC21c1ccc(S(=O)(=O)O)cc1 dna prediction

Generation 3

dna · 0.05

*C1(c2ccc(S(=O)(=O)O)cc2)c2ccc(C(=CC=N)c3ccc(S(=O)(=O)O)cc3)c(O)c2N=CC1O |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|