| General Property |
| Molceule ID (DB) | EGIN0003187 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3i compound |
| IUPAC Name | N-{2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}benzamide |
| Formula | C24H20ClN3O3 |
| Mass | 433.887 |
| Exact Mass | 433.1193192 |
| Composition | C (66.44%), H (4.65%), Cl (8.17%), N (9.68%), O (11.06%) |
| Atom Count | 51 |
| PI | 6.84 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(c(cc1)Cl)NC(=O)c1ccccc1)OC)OC |
| InChI | 1S/C24H20ClN3O3/c1-30-22-12-17-19(26-14-27-20(17)13-23(22)31-2)10-15-8-9-18(25)21(11-15)28-24(29)16-
6-4-3-5-7-16/h3-9,11-14H,10H2,1-2H3,(H,28,29) |
| InChIKey | MVUPQOIZZCTFGB-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 | CHEMBL360209 |
