| General Property |
| Molceule ID (DB) | EGIN0003189 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3k compound |
| IUPAC Name | N-{4-chloro-3-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(dimethylamino)benzamide |
| Formula | C26H25ClN4O3 |
| Mass | 476.955 |
| Exact Mass | 476.1615184 |
| Composition | C (65.47%), H (5.28%), Cl (7.43%), N (11.75%), O (10.06%) |
| Atom Count | 59 |
| PI | 7.69 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1Cl)NC(=O)c1cc(ccc1)N(C)C)OC)OC |
| InChI | 1S/C26H25ClN4O3/c1-31(2)19-7-5-6-16(11-19)26(32)30-18-8-9-21(27)17(10-18)12-22-20-13-24(33-3)25(34-4
)14-23(20)29-15-28-22/h5-11,13-15H,12H2,1-4H3,(H,30,32) |
| InChIKey | JWLPSHLYCCCDKB-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 | CHEMBL187007 |
