Base information
| Cat. No. | |
| CAS No. | 1000980-71-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H21ClIN5O4 |
| Molecular Weight | 557.769 |
| Exact Mass | 557.033 |
| XLogP3 | 3.1792 |
| Mr | 121.981 |
| PSA | 103.55 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 56 |
| Ring number | 5 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I |
