| General Property |
| Molceule ID (DB) | EGIN0003182 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | N-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]-4-fluorophenyl}benzamide |
| Formula | C24H20FN3O3 |
| Mass | 417.4323 |
| Exact Mass | 417.1488697 |
| Composition | C (69.05%), H (4.83%), F (4.55%), N (10.07%), O (11.5%) |
| Atom Count | 51 |
| PI | 6.94 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1F)NC(=O)c1ccccc1)OC)OC |
| InChI | 1S/C24H20FN3O3/c1-30-22-12-18-20(26-14-27-21(18)13-23(22)31-2)11-16-10-17(8-9-19(16)25)28-24(29)15-6
-4-3-5-7-15/h3-10,12-14H,11H2,1-2H3,(H,28,29) |
| InChIKey | LEPCGFOORHCJMI-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 15454232 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | p38 alpha | |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL186580 |
