Ligand |
||
 | ||
| Ligand Name: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB778 | PubChem: 25134251 | |
Synonym(s):
|
||
| DrugBank: DB07736 | ChEMBL: CHEMBL1232612 | |
| Canonical SMILES: Fc1ccc(CN2CCN[C@@H](C2)C(=O)NCCS)cc1 | ||
| Standard InChI: InChI=1S/C14H20FN3OS/c15-12-3-1-11(2-4-12)9-18-7-5-16-13(10-18)14(19)17-6-8-20/h1-4,13,16,20H,5-10H2,(H,17,19)/t13-/m0/s1 | ||
| Molecular Formula: C14H20FN3OS | Mol. Weight: 297.1311 | logP: 0.6455 |
| HBD: 3 | HBA: 4 | |
| #Rotatable Bonds: 5 | TPSA: 44.37 | |