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| Ligand Name: (2S,4R)-4-(2-chlorobenzenesulfonyl)-N-(1-cyanocyclopropyl)-1-[1-(4-methylphenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1473 |
PubChem:
51033210
|
Synonym(s):
- schembl695573
- (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-(1-cyanocyclopropyl)-1-[1-(4-methylphenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
show 1 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1ccc(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/C26H26ClN3O4S/c1-17-6-8-18(9-7-17)26(12-13-26)24(32)30-15-19(35(33,34)22-5-3-2-4-20(22)27)14-21(30)23(31)29-25(16-28)10-11-25/h2-9,19,21H,10-15H2,1H3,(H,29,31)/t19-,21+/m1/s1 |
| Molecular Formula: C26H26ClN3O4S |
Mol. Weight: 511.13324 |
logP: 3.2958 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 107.34 |