Basic Information
| VGSC-DB ID | NA0287 | |
|---|---|---|
| PubChem CID | 10496096 | |
| IUPAC Name | 2,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide | |
| Molecular Formula | C21H26N2O |
|
| Molecular Weight | 322.4g/mol | |
| IC50/EC50* (nM) | 7200 | |
| Target | Nav1.2 | |
| Binding Site | unknown | |
| Organism | Rat | |
| UniProt Name | SCN2A_RAT | |
| UniProt ID | P04775 | |
| SMILES | O=C(NCCN1CCCCC1)C(c1ccccc1)c1ccccc1 | |
| Category | Small molecules | |
| InChI | InChI=1S/C21H26N2O/c24-21(22-14-17-23-15-8-3-9-16-23)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24) | |
| InChI Key | MWYOFPSSMVPDDI-UHFFFAOYSA-N | |
| Article DOI | 10.1021/jm950467y | |
| PMID | 8691482 | |
| Authors | Roufos, I; Hays, S; Schwarz, RD | |
| Institution | Warner-Lambert Company | |
Calculated Properties
| Heavy Atom Count | 24 | Computed by RDKit |
|---|---|---|
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 2 | Computed by RDKit |
| Hydrogen Bond Donor Count | 1 | Computed by RDKit |
| Rotatable Bond Count | 6 | Computed by RDKit |
| logP | 3.39 | Computed by ADMETlab2.0 |
| logS | -2.78 | Computed by ADMETlab2.0 |
| logD | 3.33 | Computed by ADMETlab2.0 |