Molecule ID: mol20383
SMILES: CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)CCCN(C)C)cn5C)cn4C)cn3C)cn2C)cn1C
InChI: InChI=1S/C41H55N13O6/c1-48(2)14-10-12-36(55)43-26-16-32(51(6)21-26)38(57)45-28-18-34(53(8)23-28)40(59)47-30-20-35(54(9)25-30)41(60)46-29-19-33(52(7)24-29)39(58)44-27-17-31(50(5)22-27)37(56)42-13-11-15-49(3)4/h16-25H,10-15H2,1-9H3,(H,42,56)(H,43,55)(H,44,58)(H,45,57)(H,46,60)(H,47,59)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | Baltruschat ChEMBL | 1 » 0 |