| General Property |
| Molceule ID (DB) | EGIN0000018 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | (2R,4R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-4-methoxypyrrolidine-2-carboxamide |
| 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 | 9.79 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](C[C@H](C1)OC)C(=O)N |
| InChI | 1S/C22H23ClFN5O3/c1-31-13-7-18(21(25)30)29(10-13)9-12-6-14-17(8-19(12)32-2)26-11-27-22(14)28-16-5-3-
4-15(23)20(16)24/h3-6,8,11,13,18H,7,9-10H2,1-2H3,(H2,25,30)(H,26,27,28)/t13-,18-/m1/s1 |
| InChIKey | YFQAPABPZZSLEM-FZKQIMNGSA-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 | 23269942 |
| ChEMBL Link | CHEMBL207235 |
