 |
| Ligand Name:
2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide |
| HET ID: OAV |
PubChem:
146027016
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCN(C(=O)Cc1ccc(cc1)Oc1ccc(c(c1)C)C#N)CCn1cccn1 |
| Standard InChI: InChI=1S/C23H24N4O2/c1-3-26(13-14-27-12-4-11-25-27)23(28)16-19-5-8-21(9-6-19)29-22-10-7-20(17-24)18(2)15-22/h4-12,15H,3,13-14,16H2,1-2H3 |
| Molecular Formula: C23H24N4O2 |
Mol. Weight: 388.46225 |
Heavy Atoms: 29 |
| Charge: 0 |
Is Chiral: False |
logP: 3.94668 |
| HBD: 0 |
HBA: 6 |
TPSA: 71.15 |
| #Bonds: 31 |
#Rotatable Bonds: 9 |
Shape Complexity: 0.27272728 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |