| General Property |
| Molceule ID (DB) | EGIN0003181 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | N-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}benzamide |
| Formula | C24H21N3O3 |
| Mass | 399.4418 |
| Exact Mass | 399.1582916 |
| Composition | C (72.16%), H (5.3%), N (10.52%), O (12.02%) |
| Atom Count | 51 |
| PI | 7.49 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1)NC(=O)c1ccccc1)OC)OC |
| InChI | 1S/C24H21N3O3/c1-29-22-13-19-20(25-15-26-21(19)14-23(22)30-2)12-16-7-6-10-18(11-16)27-24(28)17-8-4-3
-5-9-17/h3-11,13-15H,12H2,1-2H3,(H,27,28) |
| InChIKey | IVLYKKGDVYHWFW-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 | CHEMBL186802 |
