| General Property |
| Molceule ID (DB) | EGIN0000233 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | N-{4-[(3-chlorophenyl)amino]quinazolin-7-yl}prop-2-enamide |
| Formula | C17H13ClN4O |
| Mass | 324.764 |
| Exact Mass | 324.0777888 |
| Composition | C (62.87%), H (4.03%), Cl (10.92%), N (17.25%), O (4.93%) |
| Atom Count | 36 |
| PI | 8.78 |
| Smiles | c12c(cc(cc1)NC(=O)C=C)ncnc2Nc1cccc(c1)Cl |
| InChI | 1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,2
1,23)(H,19,20,22) |
| InChIKey | ULYRDVLBRYCXFF-UHFFFAOYSA-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 | 10346932 |
| 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 |
10520057
|
| Drug Bank Link | - |
| ChemSpider Link | 8695455 |
| ChEMBL Link | CHEMBL52913 |
