| General Property |
| Molceule ID (DB) | EGIN0004774 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14 |
| IUPAC Name | (2R)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-2,3-dihydro-1,4-benzodioxine-2-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 | 6.67 |
| Smiles | c1cc(cc(c1)Nc1ncnc2c1cc(cc2)NC(=O)[C@H]1COc2c(O1)cccc2)Cl |
| InChI | 1S/C23H17ClN4O3/c24-14-4-3-5-15(10-14)27-22-17-11-16(8-9-18(17)25-13-26-22)28-23(29)21-12-30-19-6-1-
2-7-20(19)31-21/h1-11,13,21H,12H2,(H,28,29)(H,25,26,27)/t21-/m1/s1 |
| InChIKey | QPBVHOJHCCLHIT-OAQYLSRUSA-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 | 28514078 |
| ChEMBL Link | - |
