| General Property |
| Molceule ID (DB) | EGIN0004790 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-ethoxyquinazolin-6-yl}-3-(piperidin-1-yl)propanamide |
| Formula | C24H27ClFN5O2 |
| Mass | 471.955 |
| Exact Mass | 471.183731 |
| Composition | C (61.08%), H (5.77%), Cl (7.51%), F (4.03%), N (14.84%), O (6.78%) |
| Atom Count | 60 |
| PI | 10.65 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OCC)NC(=O)CCN1CCCCC1 |
| InChI | 1S/C24H27ClFN5O2/c1-2-33-22-14-20-17(13-21(22)30-23(32)8-11-31-9-4-3-5-10-31)24(28-15-27-20)29-16-6-
7-19(26)18(25)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,30,32)(H,27,28,29) |
| InChIKey | NPJJOUHCDFRVGX-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 | 22280453 |
| 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 | 28505381 |
| ChEMBL Link | - |
