| General Property |
| Molceule ID (DB) | EGIN0004653 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 40 |
| IUPAC Name | (2E)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-(naphthalen-1-yl)prop-2-enamide |
| Formula | C27H19ClN4O |
| Mass | 450.919 |
| Exact Mass | 450.124739 |
| Composition | C (71.92%), H (4.25%), Cl (7.86%), N (12.43%), O (3.55%) |
| Atom Count | 52 |
| PI | 9.11 |
| Smiles | c12cccc(c1cccc2)/C=C/C(=O)Nc1cc2c(cc1)ncnc2Nc1cccc(c1)Cl |
| InChI | 1S/C27H19ClN4O/c28-20-8-4-9-21(15-20)32-27-24-16-22(12-13-25(24)29-17-30-27)31-26(33)14-11-19-7-3-6-
18-5-1-2-10-23(18)19/h1-17H,(H,31,33)(H,29,30,32)/b14-11+ |
| InChIKey | NCMDSXDEOSWHRY-SDNWHVSQSA-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 |
56662786
|
| Drug Bank Link | - |
| ChemSpider Link | 26629600 |
| ChEMBL Link | CHEMBL1812569 |
