 |
| Ligand Name:
ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate |
| HET ID: I28 |
PubChem:
2129850,
4921756
|
| DrugBank: - |
ChEMBL: CHEMBL4063356 |
| Canonical SMILES: CCOC(=O)c1c(oc2c1c(CN1CCC(CC1)C)c(cc2)O)c1ccccc1 |
| Standard InChI: InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3 |
| Molecular Formula: C24H27NO4 |
Mol. Weight: 393.4755 |
Heavy Atoms: 29 |
| Charge: 0 |
Is Chiral: False |
logP: 5.1519 |
| HBD: 1 |
HBA: 5 |
TPSA: 62.91 |
| #Bonds: 32 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.375 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |