| General Property |
| Molceule ID (DB) | EGIN0001531 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6e compound |
| IUPAC Name | 4-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}but-3-yn-1-ol |
| Formula | C20H19N3O3 |
| Mass | 349.3832 |
| Exact Mass | 349.1426415 |
| Composition | C (68.75%), H (5.48%), N (12.03%), O (13.74%) |
| Atom Count | 45 |
| PI | 10 |
| Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C#CCCO |
| InChI | 1S/C20H19N3O3/c1-25-18-11-16-17(12-19(18)26-2)21-13-22-20(16)23-15-8-5-7-14(10-15)6-3-4-9-24/h5,7-8,
10-13,24H,4,9H2,1-2H3,(H,21,22,23) |
| InChIKey | ZGYIOLOGUKKRQX-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 |
44442152
|
| Drug Bank Link | - |
| ChemSpider Link | 23306732 |
| ChEMBL Link | CHEMBL248674 |
