 |
| Ligand Name: adamantyl ebselen |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB334 |
PubChem:
11209761
|
Synonym(s):
- schembl10813485
- 2-(1-adamantyl)-1,2-benzoselenazol-3-one
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: c1cccc(c12)[se]n(c2=O)C34C[C@H]5C[C@@H](C3)C[C@H](C5)C4 |
| Standard InChI: InChI=1S/C17H19NOSe/c19-16-14-3-1-2-4-15(14)20-18(16)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17? |
| Molecular Formula: C17H19NOSe |
Mol. Weight: 333.06317 |
logP: 2.9838 |
| HBD: 0 | HBA: 2 |
| #Rotatable Bonds: 1 | TPSA: 22.0 |