| General Property |
| Molceule ID (DB) | EGIN0001946 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 2f compound |
| IUPAC Name | (2S)-4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-phenylbut-3-yn-2-ol |
| Formula | C21H20N2O3 |
| Mass | 348.3951 |
| Exact Mass | 348.1473925 |
| Composition | C (72.4%), H (5.79%), N (8.04%), O (13.78%) |
| Atom Count | 46 |
| PI | 7.54 |
| Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@@](C)(O)Cc1ccccc1)OC)OC |
| InChI | 1S/C21H20N2O3/c1-21(24,13-15-7-5-4-6-8-15)10-9-17-16-11-19(25-2)20(26-3)12-18(16)23-14-22-17/h4-8,11
-12,14,24H,13H2,1-3H3/t21-/m1/s1 |
| InChIKey | DCFLKULIIIPJPN-OAQYLSRUSA-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 | 23306759 |
| ChEMBL Link | CHEMBL250525 |
