| General Property |
| Molceule ID (DB) | EGIN0003042 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 43 compound |
| IUPAC Name | (2S)-N-{4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}pyrrolidine-2-carboxamide |
| Formula | C23H24ClN5O5 |
| Mass | 485.92 |
| Exact Mass | 485.1465966 |
| Composition | C (56.85%), H (4.98%), Cl (7.3%), N (14.41%), O (16.46%) |
| Atom Count | 58 |
| PI | 10.5 |
| Smiles | N1[C@@H](CCC1)C(=O)Nc1cc2c(ncnc2cc1OCCOC)Nc1c2OCOc2ccc1Cl |
| InChI | 1S/C23H24ClN5O5/c1-31-7-8-32-19-10-16-13(9-17(19)28-23(30)15-3-2-6-25-15)22(27-11-26-16)29-20-14(24)
4-5-18-21(20)34-12-33-18/h4-5,9-11,15,25H,2-3,6-8,12H2,1H3,(H,28,30)(H,26,27,29)/t15-/m0/s1 |
| InChIKey | PXVOZEZXKFLOOY-HNNXBMFYSA-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 | 19321350 |
| 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 |
42630202
|
| Drug Bank Link | - |
| ChemSpider Link | 24720154 |
| ChEMBL Link | CHEMBL523122 |
