Cl-IB-MECA
| SMILES | CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O |
| InChIKey | IPSYPUKKXMNCNQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 544.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |