| General Property |
| Molceule ID (DB) | EGIN0003190 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3l compound |
| IUPAC Name | N-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]-4-methylphenyl}-3-(dimethylamino)benzamide |
| Formula | C27H28N4O3 |
| Mass | 456.5362 |
| Exact Mass | 456.2161408 |
| Composition | C (71.03%), H (6.18%), N (12.27%), O (10.51%) |
| Atom Count | 62 |
| PI | 7.99 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1C)NC(=O)c1cc(ccc1)N(C)C)OC)OC |
| InChI | 1S/C27H28N4O3/c1-17-9-10-20(30-27(32)18-7-6-8-21(12-18)31(2)3)11-19(17)13-23-22-14-25(33-4)26(34-5)1
5-24(22)29-16-28-23/h6-12,14-16H,13H2,1-5H3,(H,30,32) |
| InChIKey | AWGATBLTVYHKJD-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 | CHEMBL364576 |
