| General Property |
| Molceule ID (DB) | EGIN0004667 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 32 |
| IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-phenylprop-2-enamide |
| Formula | C23H17ClN4O |
| Mass | 400.86 |
| Exact Mass | 400.1090889 |
| Composition | C (68.91%), H (4.27%), Cl (8.84%), N (13.98%), O (3.99%) |
| Atom Count | 46 |
| PI | 9.11 |
| Smiles | c1(ccccc1)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl |
| InChI | 1S/C23H17ClN4O/c24-17-7-4-8-18(13-17)28-23-20-14-19(10-11-21(20)25-15-26-23)27-22(29)12-9-16-5-2-1-3
-6-16/h1-15H,(H,27,29)(H,25,26,28)/b12-9+ |
| InChIKey | HRHPFAVRIJPTSA-FMIVXFBMSA-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 |
56662784
|
| Drug Bank Link | - |
| ChemSpider Link | 26630998 |
| ChEMBL Link | CHEMBL1812561 |
