| General Property |
| Molceule ID (DB) | EGIN0001739 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 Compound |
| IUPAC Name | 2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]acetamide |
| Formula | C22H23ClFN5O3 |
| Mass | 459.901 |
| Exact Mass | 459.1473455 |
| Composition | C (57.45%), H (5.04%), Cl (7.71%), F (4.13%), N (15.23%), O (10.44%) |
| Atom Count | 55 |
| PI | 10.16 |
| Smiles | c12c(cc(c(c1)OC1CCN(CC1)CC(=O)N)OC)ncnc2Nc1cccc(c1F)Cl |
| InChI | 1S/C22H23ClFN5O3/c1-31-18-10-17-14(9-19(18)32-13-5-7-29(8-6-13)11-20(25)30)22(27-12-26-17)28-16-4-2-
3-15(23)21(16)24/h2-4,9-10,12-13H,5-8,11H2,1H3,(H2,25,30)(H,26,27,28) |
| InChIKey | DIBGTMXGHUALIU-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 | 16806916 |
| 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 |
10411907
|
| Drug Bank Link | - |
| ChemSpider Link | 8587343 |
| ChEMBL Link | CHEMBL218677 |
