| General Property |
| Molceule ID (DB) | EGIN0004655 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 39 |
| IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-(4-methylphenyl)prop-2-enamide |
| Formula | C24H19ClN4O |
| Mass | 414.887 |
| Exact Mass | 414.124739 |
| Composition | C (69.48%), H (4.62%), Cl (8.55%), N (13.5%), O (3.86%) |
| Atom Count | 49 |
| PI | 9.11 |
| Smiles | c1(ccc(cc1)C)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl |
| InChI | 1S/C24H19ClN4O/c1-16-5-7-17(8-6-16)9-12-23(30)28-20-10-11-22-21(14-20)24(27-15-26-22)29-19-4-2-3-18(
25)13-19/h2-15H,1H3,(H,28,30)(H,26,27,29)/b12-9+ |
| InChIKey | WGXVZORBBGBUMX-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 |
56669671
|
| Drug Bank Link | - |
| ChemSpider Link | 26630111 |
| ChEMBL Link | CHEMBL1812568 |
