Basic Information
| VGSC-DB ID | NA0292 | |
|---|---|---|
| PubChem CID | 10522945 | |
| IUPAC Name | N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,2-diphenylacetamide | |
| Molecular Formula | C23H30N2O2 |
|
| Molecular Weight | 366.5g/mol | |
| IC50/EC50* (nM) | 2700 | |
| Target | Nav1.2 | |
| Binding Site | unknown | |
| Organism | Rat | |
| UniProt Name | SCN2A_RAT | |
| UniProt ID | P04775 | |
| SMILES | CC1CN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC(C)O1 | |
| Category | Small molecules | |
| InChI | InChI=1S/C23H30N2O2/c1-18-16-25(17-19(2)27-18)15-9-14-24-23(26)22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3,(H,24,26) | |
| InChI Key | ZSUNVEQGHLEGIL-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 | 27 | Computed by RDKit |
|---|---|---|
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 3 | Computed by RDKit |
| Hydrogen Bond Donor Count | 1 | Computed by RDKit |
| Rotatable Bond Count | 7 | Computed by RDKit |
| logP | 3.1 | Computed by ADMETlab2.0 |
| logS | -2.38 | Computed by ADMETlab2.0 |
| logD | 2.8 | Computed by ADMETlab2.0 |