naldemedine [5541]
naldemedine
| SMILES | CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1 |
| InChIKey | AXQACEQYCPKDMV-RZAWKFBISA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 6 |
| Log P | 3.480 |
| Molecular weight (Da) | 570.2 |
| Stereochemistry info | partial |