| General Property |
| Molceule ID (DB) | EGIN0004656 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 38 |
| IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-(thiophen-2-yl)prop-2-enamide |
| Formula | C21H15ClN4OS |
| Mass | 406.888 |
| Exact Mass | 406.0655095 |
| Composition | C (61.99%), H (3.72%), Cl (8.71%), N (13.77%), O (3.93%), S (7.88%) |
| Atom Count | 43 |
| PI | 9.1 |
| Smiles | c1(/C=C/C(=O)Nc2ccc3c(c2)c(ncn3)Nc2cc(ccc2)Cl)sccc1 |
| InChI | 1S/C21H15ClN4OS/c22-14-3-1-4-15(11-14)26-21-18-12-16(6-8-19(18)23-13-24-21)25-20(27)9-7-17-5-2-10-28
-17/h1-13H,(H,25,27)(H,23,24,26)/b9-7+ |
| InChIKey | QCXGPXCCRSBZGD-VQHVLOKHSA-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 | 21763148 |
| 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 |
56669670
|
| Drug Bank Link | - |
| ChemSpider Link | 26631169 |
| ChEMBL Link | CHEMBL1812567 |
