| General Property |
| Molceule ID (DB) | EGIN0000216 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | N-{4-[(3-methylphenyl)amino]quinazolin-6-yl}prop-2-enamide |
| Formula | C18H16N4O |
| Mass | 304.3458 |
| Exact Mass | 304.1324112 |
| Composition | C (71.04%), H (5.3%), N (18.41%), O (5.26%) |
| Atom Count | 39 |
| PI | 9.19 |
| Smiles | O=C(Nc1cc2c(cc1)ncnc2Nc1cccc(c1)C)C=C |
| InChI | 1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H
,21,23)(H,19,20,22) |
| InChIKey | AWQLTDUXGVCRBV-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 | 10753475 | 10956451 | |
| 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 |
9995195
|
| Drug Bank Link | - |
| ChemSpider Link | 8170776 |
| ChEMBL Link | CHEMBL31815 |
