| General Property |
| Molceule ID (DB) | EGIN0001533 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6g compound |
| IUPAC Name | 4-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}-2-methylbut-3-yn-2-ol |
| Formula | C21H21N3O3 |
| Mass | 363.4097 |
| Exact Mass | 363.1582916 |
| Composition | C (69.41%), H (5.82%), N (11.56%), O (13.21%) |
| Atom Count | 48 |
| PI | 9.14 |
| Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C#CC(O)(C)C |
| InChI | 1S/C21H21N3O3/c1-21(2,25)9-8-14-6-5-7-15(10-14)24-20-16-11-18(26-3)19(27-4)12-17(16)22-13-23-20/h5-7
,10-13,25H,1-4H3,(H,22,23,24) |
| InChIKey | GIPIRBPYCRHAIJ-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 | 17889528 |
| 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 |
44442155
|
| Drug Bank Link | - |
| ChemSpider Link | 23306735 |
| ChEMBL Link | CHEMBL248864 |
