| General Property |
| Molceule ID (DB) | EGIN0004649 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 44 |
| IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-(3-nitrophenyl)prop-2-enamide |
| Formula | C23H16ClN5O3 |
| Mass | 445.858 |
| Exact Mass | 445.0941671 |
| Composition | C (61.96%), H (3.62%), Cl (7.95%), N (15.71%), O (10.77%) |
| Atom Count | 48 |
| PI | 9.11 |
| Smiles | c1c(cccc1/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)[N+](=O)[O-] |
| InChI | 1S/C23H16ClN5O3/c24-16-4-2-5-17(12-16)28-23-20-13-18(8-9-21(20)25-14-26-23)27-22(30)10-7-15-3-1-6-19
(11-15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b10-7+ |
| InChIKey | GTTPNTBBUDXSMN-JXMROGBWSA-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 |
53484043
|
| Drug Bank Link | - |
| ChemSpider Link | 26629502 |
| ChEMBL Link | CHEMBL1812573 |
