| General Property |
| Molceule ID (DB) | EGIN0001961 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 8p compound |
| IUPAC Name | 6,7-diethoxy-4-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethynyl}quinazoline |
| Formula | C23H19FN4O2 |
| Mass | 402.421 |
| Exact Mass | 402.1492041 |
| Composition | C (68.65%), H (4.76%), F (4.72%), N (13.92%), O (7.95%) |
| Atom Count | 49 |
| PI | 8.52 |
| Smiles | c1(c(cc2c(c1)c(ncn2)C#Cc1c[nH]nc1c1ccc(cc1)F)OCC)OCC |
| InChI | 1S/C23H19FN4O2/c1-3-29-21-11-18-19(25-14-26-20(18)12-22(21)30-4-2)10-7-16-13-27-28-23(16)15-5-8-17(2
4)9-6-15/h5-6,8-9,11-14H,3-4H2,1-2H3,(H,27,28) |
| InChIKey | AHECKEJZVOJBKG-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 |
44442186
|
| Drug Bank Link | - |
| ChemSpider Link | 23306774 |
| ChEMBL Link | CHEMBL251125 |
