| General Property |
| Molceule ID (DB) | EGIN0004793 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 |
| IUPAC Name | N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-2,3-dihydro-1,4-benzodioxine-5-carboxamide |
| Formula | C23H17ClN4O3 |
| Mass | 432.859 |
| Exact Mass | 432.0989181 |
| Composition | C (63.82%), H (3.96%), Cl (8.19%), N (12.94%), O (11.09%) |
| Atom Count | 48 |
| PI | 7.12 |
| Smiles | c12cccc(c1OCCO2)C(=O)Nc1cc2c(cc1)ncnc2Nc1cccc(c1)Cl |
| InChI | 1S/C23H17ClN4O3/c24-14-3-1-4-15(11-14)27-22-18-12-16(7-8-19(18)25-13-26-22)28-23(29)17-5-2-6-20-21(1
7)31-10-9-30-20/h1-8,11-13H,9-10H2,(H,28,29)(H,25,26,27) |
| InChIKey | NVDKILXCXNCRQG-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 | 22901387 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 28512225 |
| ChEMBL Link | - |
