| General Property |
| Molceule ID (DB) | EGIN0004701 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 22 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine |
| Formula | C22H25ClFN5O2 |
| Mass | 445.918 |
| Exact Mass | 445.168081 |
| Composition | C (59.26%), H (5.65%), Cl (7.95%), F (4.26%), N (15.71%), O (7.18%) |
| Atom Count | 56 |
| PI | 12.07 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN1CCN(CC1)C |
| InChI | 1S/C22H25ClFN5O2/c1-28-5-7-29(8-6-28)9-10-31-21-12-16-19(13-20(21)30-2)25-14-26-22(16)27-15-3-4-18(2
4)17(23)11-15/h3-4,11-14H,5-10H2,1-2H3,(H,25,26,27) |
| InChIKey | UEWRHTSERXIBRC-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 | 11459659 |
| 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 |
19077508
|
| Drug Bank Link | - |
| ChemSpider Link | 13940739 |
| ChEMBL Link | CHEMBL300791 |
