Basic Information
| VGSC-DB ID | NA0120 | |
|---|---|---|
| PubChem CID | 216327 | |
| IUPAC Name | 2,2-bis(4-fluorophenyl)-2-phenylacetamide | |
| Molecular Formula | C20H15F2NO |
|
| Molecular Weight | 323.3g/mol | |
| IC50/EC50* (nM) | >1000 | |
| Target | Nav1.2 | |
| Binding Site | unknown | |
| Organism | Human | |
| UniProt Name | SCN2A_HUMAN | |
| UniProt ID | Q99250 | |
| SMILES | NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 | |
| Category | Small molecules | |
| InChI | InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24) | |
| InChI Key | SCTZUZTYRMOMKT-UHFFFAOYSA-N | |
| Article DOI | 10.1021/jm3011433 | |
| PMID | 23121096 | |
| Authors | Bagal, SK; Brown, AD; Cox, PJ; Omoto, K; Owen, RM; Pryde, DC; Sidders, B; Skerratt, SE; Stevens, EB; Storer, RI; Swain, NA | |
| Institution | Pfizer Inc | |
Calculated Properties
| Heavy Atom Count | 24 | Computed by RDKit |
|---|---|---|
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 1 | Computed by RDKit |
| Hydrogen Bond Donor Count | 1 | Computed by RDKit |
| Rotatable Bond Count | 4 | Computed by RDKit |
| logP | 3.45 | Computed by ADMETlab2.0 |
| logS | -3.32 | Computed by ADMETlab2.0 |
| logD | 3.08 | Computed by ADMETlab2.0 |