Basic Information
| VGSC-DB ID | NA0202 | |
|---|---|---|
| PubChem CID | 9049349 | |
| IUPAC Name | N-[3-[benzyl(methyl)amino]propyl]-2,2-diphenylacetamide | |
| Molecular Formula | C25H28N2O |
|
| Molecular Weight | 372.5g/mol | |
| IC50/EC50* (nM) | 1200 | |
| Target | Nav1.2 | |
| Binding Site | unknown | |
| Organism | Rat | |
| UniProt Name | SCN2A_RAT | |
| UniProt ID | P04775 | |
| SMILES | CN(CCCNC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 | |
| Category | Small molecules | |
| InChI | InChI=1S/C25H28N2O/c1-27(20-21-12-5-2-6-13-21)19-11-18-26-25(28)24(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,24H,11,18-20H2,1H3,(H,26,28) | |
| InChI Key | WSIOFQNBYMEHFZ-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 | 28 | 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 | 9 | Computed by RDKit |
| logP | 3.89 | Computed by ADMETlab2.0 |
| logS | -3.11 | Computed by ADMETlab2.0 |
| logD | 3.75 | Computed by ADMETlab2.0 |