Ligand |
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| Ligand Name: (2S,4S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]-4-hydroxypyrrolidine-2-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1020 | PubChem: 155538869 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL4513306 | |
| Canonical SMILES: O[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N | ||
| Standard InChI: InChI=1S/C21H20N4O2/c22-11-15-3-7-17(8-4-15)16-5-1-14(2-6-16)9-18(12-23)25-21(27)20-10-19(26)13-24-20/h1-8,18-20,24,26H,9-10,13H2,(H,25,27)/t18-,19-,20-/m0/s1 | ||
| Molecular Formula: C21H20N4O2 | Mol. Weight: 360.15863 | logP: 1.49896 |
| HBD: 3 | HBA: 5 | |
| #Rotatable Bonds: 5 | TPSA: 108.94 | |