| General Property |
| Molceule ID (DB) | EGIN0001532 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6f compound |
| IUPAC Name | 5-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}pent-4-yn-1-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 | 10.25 |
| Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C#CCCCO |
| InChI | 1S/C21H21N3O3/c1-26-19-12-17-18(13-20(19)27-2)22-14-23-21(17)24-16-9-6-8-15(11-16)7-4-3-5-10-25/h6,8
-9,11-14,25H,3,5,10H2,1-2H3,(H,22,23,24) |
| InChIKey | IOCMISOXJROINT-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 |
44442154
|
| Drug Bank Link | - |
| ChemSpider Link | 23306734 |
| ChEMBL Link | CHEMBL437197 |
