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| Ligand Name: (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB414 |
PubChem:
11381416
|
Synonym(s):
- chembl379522
- 866396-34-1
- schembl2742688
- bdbm50187266
- zinc13687371
- (2r,5s)-1-(2-(1-(hydroxymethyl)cyclopentylamino)acetyl)pyrrolidine-2,5-dicarbonitrile
- rel-(2r,5s)-1-((1-(hydroxymethyl)cyclopentyl)glycyl)pyrrolidine-2,5-dicarbonitrile
show 6 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL379522 |
| Canonical SMILES: OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N |
| Standard InChI: InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+ |
| Molecular Formula: C14H20N4O2 |
Mol. Weight: 276.15863 |
logP: 0.28786 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 4 | TPSA: 100.15 |