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| Ligand Name: (2S,4R)-4-(2-chlorobenzenesulfonyl)-N-(1-cyanocyclopropyl)-1-{1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl}pyrrolidine-2-carboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1488 |
PubChem:
51031603
|
Synonym(s):
- schembl695775
- (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-(1-cyanocyclopropyl)-1-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: FC(F)(F)c1ccc(cc1)C2(CC2)C(=O)N3C[C@@H](C[C@H]3C(=O)NC4(C#N)CC4)S(=O)(=O)c5ccccc5Cl |
| Standard InChI: InChI=1S/C26H23ClF3N3O4S/c27-19-3-1-2-4-21(19)38(36,37)18-13-20(22(34)32-24(15-31)9-10-24)33(14-18)23(35)25(11-12-25)16-5-7-17(8-6-16)26(28,29)30/h1-8,18,20H,9-14H2,(H,32,34)/t18-,20+/m1/s1 |
| Molecular Formula: C26H23ClF3N3O4S |
Mol. Weight: 565.105 |
logP: 4.00618 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 107.34 |