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 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC2=C1O)c1ccc(S(=O)(=O)O)cc1 Epoxidation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 gsh prediction

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 protein prediction

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 cyanide prediction

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 dna prediction

Generation 4

dna · 0.02

*C12N=CC(=O)C(c3ccc(S(=O)(=O)O)cc3)=C1C(=O)C=C(C(=CC=N)c1ccc(S(=O)(=O)O)cc1)C2(O)O |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|