| General Property |
| Molceule ID (DB) | EGIN0003185 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | N-{5-[(6,7-dimethoxyquinazolin-4-yl)methyl]-2-methylphenyl}benzamide |
| Formula | C25H23N3O3 |
| Mass | 413.4684 |
| Exact Mass | 413.1739416 |
| Composition | C (72.62%), H (5.61%), N (10.16%), O (11.61%) |
| Atom Count | 54 |
| PI | 7.53 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(c(cc1)C)NC(=O)c1ccccc1)OC)OC |
| InChI | 1S/C25H23N3O3/c1-16-9-10-17(11-20(16)28-25(29)18-7-5-4-6-8-18)12-21-19-13-23(30-2)24(31-3)14-22(19)2
7-15-26-21/h4-11,13-15H,12H2,1-3H3,(H,28,29) |
| InChIKey | ZSXIHSZECVUTPW-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 | CHEMBL186747 |
