Ligand |
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| Ligand Name: (2S,4R)-N-(1-cyanocyclopropyl)-4-[2-(trifluoromethyl)benzenesulfonyl]pyrrolidine-2-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1091 | PubChem: 46946224 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL3093932 | |
| Canonical SMILES: FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CN[C@@H](C1)C(=O)NC1(CC1)C#N | ||
| Standard InChI: InChI=1S/C16H16F3N3O3S/c17-16(18,19)11-3-1-2-4-13(11)26(24,25)10-7-12(21-8-10)14(23)22-15(9-20)5-6-15/h1-4,10,12,21H,5-8H2,(H,22,23)/t10-,12+/m1/s1 | ||
| Molecular Formula: C16H16F3N3O3S | Mol. Weight: 387.08646 | logP: 1.38198 |
| HBD: 2 | HBA: 5 | |
| #Rotatable Bonds: 4 | TPSA: 99.06 | |