Ligand |
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| Ligand Name: (3S,4S)-1-(benzenesulfonyl)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)pyrrolidine-3-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB132 | PubChem: 72793721 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL3093943 | |
| Canonical SMILES: N#CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1C(=O)N3CCOCC3 | ||
| Standard InChI: InChI=1S/C18H22N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-5,15-16H,7-13H2,(H,20,23)/t15-,16-/m1/s1 | ||
| Molecular Formula: C18H22N4O5S | Mol. Weight: 406.1311 | logP: -0.57812 |
| HBD: 1 | HBA: 6 | |
| #Rotatable Bonds: 5 | TPSA: 119.81 | |