| General Property |
| Molceule ID (DB) | EGIN0000044 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 33 compound |
| IUPAC Name | 4-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-(propan-2-yl)piperidine-4-carboxamide |
| Formula | C26H32ClFN6O2 |
| Mass | 515.023 |
| Exact Mass | 514.2259302 |
| Composition | C (60.63%), H (6.26%), Cl (6.88%), F (3.69%), N (16.32%), O (6.21%) |
| Atom Count | 68 |
| PI | 11.31 |
| Smiles | C1(CCN(CC1)C(C)C)(N(Cc1c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)C)C(=O)N |
| InChI | 1S/C26H32ClFN6O2/c1-16(2)34-10-8-26(9-11-34,25(29)35)33(3)14-17-12-18-21(13-22(17)36-4)30-15-31-24(1
8)32-20-7-5-6-19(27)23(20)28/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H2,29,35)(H,30,31,32) |
| InChIKey | DFMFCXGQTUDQBA-UHFFFAOYSA-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 | 23270282 |
| ChEMBL Link | CHEMBL383246 |
