| General Property |
| Molceule ID (DB) | EGIN0000036 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(propan-2-yl)amino]propanamide |
| Formula | C22H25ClFN5O2 |
| Mass | 445.918 |
| Exact Mass | 445.168081 |
| Composition | C (59.26%), H (5.65%), Cl (7.95%), F (4.26%), N (15.71%), O (7.18%) |
| Atom Count | 56 |
| PI | 10.17 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](C)C(=O)N)C(C)C |
| InChI | 1S/C22H25ClFN5O2/c1-12(2)29(13(3)21(25)30)10-14-8-15-18(9-19(14)31-4)26-11-27-22(15)28-17-7-5-6-16(2
3)20(17)24/h5-9,11-13H,10H2,1-4H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1 |
| InChIKey | OJGQFAGYVWAAAD-ZDUSSCGKSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23270054 |
| ChEMBL Link | CHEMBL208048 |
