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| Ligand Name: (3S,4S)-1-(2-chlorobenzenesulfonyl)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)pyrrolidine-3-carboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB131 |
PubChem:
72793722
|
Synonym(s):
- chembl3093944
- (3s)-n-(cyanomethyl)-1-(2-chlorophenylsulfonyl)-4alpha-(morpholinocarbonyl)pyrrolidine-3beta-carboxamide
show 1 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL3093944 |
| Canonical SMILES: Clc1ccccc1S(=O)(=O)N2C[C@@H](C(=O)NCC#N)[C@@H](C2)C(=O)N3CCOCC3 |
| Standard InChI: InChI=1S/C18H21ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-4,13-14H,6-12H2,(H,21,24)/t13-,14-/m1/s1 |
| Molecular Formula: C18H21ClN4O5S |
Mol. Weight: 440.09213 |
logP: 0.07528 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 5 | TPSA: 119.81 |