| General Property |
| Molceule ID (DB) | EGIN0003188 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3j compound |
| IUPAC Name | N-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(dimethylamino)benzamide |
| Formula | C26H26N4O3 |
| Mass | 442.5096 |
| Exact Mass | 442.2004907 |
| Composition | C (70.57%), H (5.92%), N (12.66%), O (10.85%) |
| Atom Count | 59 |
| PI | 7.91 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1)NC(=O)c1cc(ccc1)N(C)C)OC)OC |
| InChI | 1S/C26H26N4O3/c1-30(2)20-10-6-8-18(13-20)26(31)29-19-9-5-7-17(11-19)12-22-21-14-24(32-3)25(33-4)15-2
3(21)28-16-27-22/h5-11,13-16H,12H2,1-4H3,(H,29,31) |
| InChIKey | UAFGSWDDPWJHGW-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL365830 |
