| General Property |
| Molceule ID (DB) | EGIN0001944 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 2d compound |
| IUPAC Name | 4-(3-benzyl-3-methylbut-1-yn-1-yl)-6,7-dimethoxyquinazoline |
| Formula | C22H22N2O2 |
| Mass | 346.4223 |
| Exact Mass | 346.168128 |
| Composition | C (76.28%), H (6.4%), N (8.09%), O (9.24%) |
| Atom Count | 48 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ncn2)C#CC(C)(C)Cc1ccccc1)OC)OC |
| InChI | 1S/C22H22N2O2/c1-22(2,14-16-8-6-5-7-9-16)11-10-18-17-12-20(25-3)21(26-4)13-19(17)24-15-23-18/h5-9,12
-13,15H,14H2,1-4H3 |
| InChIKey | RVEDAUKOXMSMKQ-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 | 17869510 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23306757 |
| ChEMBL Link | CHEMBL399953 |
