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| Ligand Name: (1R,2R,4R)-4-Benzenesulfonyl-2-(morpholine-4-carbonyl)-cyclopentanecarboxylic Acid Cyanomethyl-amide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1264 |
PubChem:
49835673
|
Synonym(s):
- chembl3093940
- schembl1139388
- bdbm50444318
- (1r,2r,4r)-4-(benzenesulfonyl)-n-(cyanomethyl)-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide
- (1r,2r,4r)-4-benzenesulfonyl-2-(morpholine-4-carbonyl)-cyclopentanecarboxylic acid cyanomethyl-amide
show 4 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL3093940 |
| Canonical SMILES: N#CCNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)N3CCOCC3 |
| Standard InChI: InChI=1S/C19H23N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-5,15-17H,7-13H2,(H,21,23)/t15-,16-,17-/m1/s1 |
| Molecular Formula: C19H23N3O5S |
Mol. Weight: 405.13583 |
logP: 0.35368 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 5 | TPSA: 116.57 |