| General Property |
| Molceule ID (DB) | EGIN0004547 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2-S-37 |
| IUPAC Name | (2S)-1-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-3-(morpholin-4-yl)propan-2-ol |
| Formula | C22H24ClFN4O4 |
| Mass | 462.902 |
| Exact Mass | 462.1470112 |
| Composition | C (57.08%), H (5.23%), Cl (7.66%), F (4.1%), N (12.1%), O (13.83%) |
| Atom Count | 56 |
| PI | 10.24 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC[C@H](CN1CCOCC1)O |
| InChI | 1S/C22H24ClFN4O4/c1-30-20-10-19-16(9-21(20)32-12-15(29)11-28-4-6-31-7-5-28)22(26-13-25-19)27-14-2-3-
18(24)17(23)8-14/h2-3,8-10,13,15,29H,4-7,11-12H2,1H3,(H,25,26,27)/t15-/m0/s1 |
| InChIKey | COMSCFFBTPULJA-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 | 11459659 |
| 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 |
54586507
|
| Drug Bank Link | - |
| ChemSpider Link | 26333867 |
| ChEMBL Link | CHEMBL1744086 |
