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 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C(=O)c2c(-c3ccc(S(=O)(=O)O)cc3)ccnc2C2=C1C1(c3ccc(S(=O)(=O)O)cc3)OC1C=N2 N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C2=C(C(=O)C(=O)C1=C(C=CO)c1ccc(S(=O)(=O)O)cc1)C1(c3ccc(S(=O)(=O)O)cc3)OC1C=N2 gsh prediction

N=C1C2=C(C(=O)C(=O)C1=C(C=CO)c1ccc(S(=O)(=O)O)cc1)C1(c3ccc(S(=O)(=O)O)cc3)OC1C=N2 protein prediction

N=C1C2=C(C(=O)C(=O)C1=C(C=CO)c1ccc(S(=O)(=O)O)cc1)C1(c3ccc(S(=O)(=O)O)cc3)OC1C=N2 cyanide prediction

N=C1C2=C(C(=O)C(=O)C1=C(C=CO)c1ccc(S(=O)(=O)O)cc1)C1(c3ccc(S(=O)(=O)O)cc3)OC1C=N2 dna prediction

Generation 4

glutathionation · 0.01

*C1(c2ccc(S(=O)(=O)O)cc2)C2=C(N=CC1O)C(=N)C(=C(C=CO)c1ccc(S(=O)(=O)O)cc1)C(=O)C2=O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|