| General Property |
| Molceule ID (DB) | EGIN0004665 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 33 |
| IUPAC Name | (2E)-3-(4-chlorophenyl)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}prop-2-enamide |
| Formula | C23H16Cl2N4O |
| Mass | 435.305 |
| Exact Mass | 434.0701166 |
| Composition | C (63.46%), H (3.7%), Cl (16.29%), N (12.87%), O (3.68%) |
| Atom Count | 46 |
| PI | 9.11 |
| Smiles | c1(ccc(cc1)Cl)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl |
| InChI | 1S/C23H16Cl2N4O/c24-16-7-4-15(5-8-16)6-11-22(30)28-19-9-10-21-20(13-19)23(27-14-26-21)29-18-3-1-2-17
(25)12-18/h1-14H,(H,28,30)(H,26,27,29)/b11-6+ |
| InChIKey | RJPBTSMSUMSUSP-IZZDOVSWSA-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 |
56669669
|
| Drug Bank Link | - |
| ChemSpider Link | 26630999 |
| ChEMBL Link | CHEMBL1812562 |
