| General Property |
| Molceule ID (DB) | EGIN0000041 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-4-methoxybutanamide |
| Formula | C22H25ClFN5O3 |
| Mass | 461.917 |
| Exact Mass | 461.1629956 |
| Composition | C (57.2%), H (5.46%), Cl (7.68%), F (4.11%), N (15.16%), O (10.39%) |
| Atom Count | 57 |
| PI | 9.97 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](CCOC)C(=O)N)C |
| InChI | 1S/C22H25ClFN5O3/c1-29(18(21(25)30)7-8-31-2)11-13-9-14-17(10-19(13)32-3)26-12-27-22(14)28-16-6-4-5-1
5(23)20(16)24/h4-6,9-10,12,18H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t18-/m0/s1 |
| InChIKey | KBHNVEWVXSQNJH-SFHVURJKSA-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 | 16516473 |
| 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 |
11691173
|
| Drug Bank Link | - |
| ChemSpider Link | 9865900 |
| ChEMBL Link | CHEMBL207445 |
