Molecule ID: mol20380
SMILES: CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)c6cc(NC(=O)CCCN(C)C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C
InChI: InChI=1S/C47H61N15O7/c1-55(2)15-11-13-41(63)49-29-17-36(58(6)23-29)43(65)51-31-19-38(60(8)25-31)45(67)53-33-21-40(62(10)27-33)47(69)54-34-22-39(61(9)28-34)46(68)52-32-20-37(59(7)26-32)44(66)50-30-18-35(57(5)24-30)42(64)48-14-12-16-56(3)4/h17-28H,11-16H2,1-10H3,(H,48,64)(H,49,63)(H,50,66)(H,51,65)(H,52,68)(H,53,67)(H,54,69)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | Baltruschat ChEMBL | 1 » 0 |