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=c2c(nccc2=C2C=CC(S(=O)(=O)O)=CC2=O)C1=O)c1ccc(S(=O)(=O)O)cc1 Epoxidation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C1=CC2OC2(S(=O)(=O)O)C=C1)C1=CC=c2c(nccc2=C2C=CC(S(=O)(=O)O)=CC2=O)C1=O gsh prediction

N=CC=C(C1=CC2OC2(S(=O)(=O)O)C=C1)C1=CC=c2c(nccc2=C2C=CC(S(=O)(=O)O)=CC2=O)C1=O protein prediction

N=CC=C(C1=CC2OC2(S(=O)(=O)O)C=C1)C1=CC=c2c(nccc2=C2C=CC(S(=O)(=O)O)=CC2=O)C1=O cyanide prediction

N=CC=C(C1=CC2OC2(S(=O)(=O)O)C=C1)C1=CC=c2c(nccc2=C2C=CC(S(=O)(=O)O)=CC2=O)C1=O dna prediction

Generation 4

glutathionation · 0.03

*C1C=C(C(=CC=N)C2=CC=c3c(nccc3=C3C=CC(S(=O)(=O)O)=CC3=O)C2=O)C=CC1(O)S(=O)(=O)O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|