| General Property |
| Molceule ID (DB) | EGIN0000020 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | (2R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-N-methylpyrrolidine-2-carboxamide |
| Formula | C22H23ClFN5O2 |
| Mass | 443.902 |
| Exact Mass | 443.1524309 |
| Composition | C (59.53%), H (5.22%), Cl (7.99%), F (4.28%), N (15.78%), O (7.21%) |
| Atom Count | 54 |
| PI | 10.06 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](CCC1)C(=O)NC |
| InChI | 1S/C22H23ClFN5O2/c1-25-22(30)18-7-4-8-29(18)11-13-9-14-17(10-19(13)31-2)26-12-27-21(14)28-16-6-3-5-1
5(23)20(16)24/h3,5-6,9-10,12,18H,4,7-8,11H2,1-2H3,(H,25,30)(H,26,27,28)/t18-/m1/s1 |
| InChIKey | QMGNNNRCEMYKNG-GOSISDBHSA-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 |
11502867
|
| Drug Bank Link | - |
| ChemSpider Link | 23270058 |
| ChEMBL Link | CHEMBL208292 |
