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| Ligand Name: (9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1012 |
PubChem:
44389973
|
Synonym(s):
- chembl178563
- (z)-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
- 1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
- schembl2163462
- 849798-74-9
- bdbm50157120
- q27461885
- (z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
- 1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octadec-9-en-1-one
- (9z)-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]octadec-9-en-1-one
- (z)-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octadec-9-en-1-one
show 10 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL178563 |
| Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)-c2ccccn2 |
| Standard InChI: InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9- |
| Molecular Formula: C25H37N3O2 |
Mol. Weight: 411.28857 |
logP: 7.3518 |
| HBD: 0 | HBA: 5 |
| #Rotatable Bonds: 17 | TPSA: 68.88 |