paper-1c
| SMILES | COC1=CC=CC=C1N1CCN(CC2=C3C=CC=CN3N=C2)CC1 |
| InChIKey | BSKCWIVBIYXANV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 322.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |