| General Property |
| Molceule ID (DB) | EGIN0000022 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 2-[(2S)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)pyrrolidin-2-yl]acetamide |
| 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 | 10.91 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@@H](CCC1)CC(=O)N |
| InChI | 1S/C22H23ClFN5O2/c1-31-19-10-18-15(8-13(19)11-29-7-3-4-14(29)9-20(25)30)22(27-12-26-18)28-17-6-2-5-1
6(23)21(17)24/h2,5-6,8,10,12,14H,3-4,7,9,11H2,1H3,(H2,25,30)(H,26,27,28)/t14-/m0/s1 |
| InChIKey | CFQAZHZKWMMXOV-AWEZNQCLSA-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 | 23270064 |
| ChEMBL Link | CHEMBL377772 |
