| General Property |
| Molceule ID (DB) | EGIN0004001 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4b compound |
| IUPAC Name | 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C22H21FN4O2S |
| Mass | 424.491 |
| Exact Mass | 424.1369248 |
| Composition | C (62.25%), H (4.99%), F (4.48%), N (13.2%), O (7.54%), S (7.55%) |
| Atom Count | 51 |
| PI | 10.38 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2csc(n2)C)c(cc1)F |
| InChI | 1S/C22H21FN4O2S/c1-4-28-20-9-16-18(10-21(20)29-5-2)24-12-25-22(16)27-14-6-7-17(23)15(8-14)19-11-30-1
3(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27) |
| InChIKey | NRHQPXPAVNZKEJ-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 | 12190310 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | F16BP | |
| Pub Chem Link |
10216557
|
| Drug Bank Link | - |
| ChemSpider Link | 8392049 |
| ChEMBL Link | CHEMBL340714 |
