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| Ligand Name: 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB986 |
PubChem:
11484453
|
Synonym(s):
- chembl178398
- 7-phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one
- 7-phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)heptan-1-one
- 3ppm
- schembl2163056
- 7-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)heptan-1-one
- bdbm50161512
- q27461693
- 5-(2-pyridinyl)-2-(7-phenylheptanoyl)-1,3,4-oxadiazole
- jg1
show 9 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL178398 |
| Canonical SMILES: c1cccnc1-c2oc(nn2)C(=O)CCCCCCc3ccccc3 |
| Standard InChI: InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2 |
| Molecular Formula: C20H21N3O2 |
Mol. Weight: 335.1634 |
logP: 4.5075 |
| HBD: 0 | HBA: 5 |
| #Rotatable Bonds: 9 | TPSA: 68.88 |