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

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1c2nccc(-c3ccc(S(=O)(=O)O)cc3)c2C=CC12OC2(C=CO)c1ccc(S(=O)(=O)O)cc1 gsh prediction

N=C1c2nccc(-c3ccc(S(=O)(=O)O)cc3)c2C=CC12OC2(C=CO)c1ccc(S(=O)(=O)O)cc1 protein prediction

N=C1c2nccc(-c3ccc(S(=O)(=O)O)cc3)c2C=CC12OC2(C=CO)c1ccc(S(=O)(=O)O)cc1 cyanide prediction

N=C1c2nccc(-c3ccc(S(=O)(=O)O)cc3)c2C=CC12OC2(C=CO)c1ccc(S(=O)(=O)O)cc1 dna prediction

Generation 3

dna · 0.08

*C1(C(O)(C=CO)c2ccc(S(=O)(=O)O)cc2)C=Cc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc2C1=N |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|