| General Property |
| Molceule ID (DB) | EGIN0004668 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 31 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C22H24ClFN4O2 |
| Mass | 430.903 |
| Exact Mass | 430.1571819 |
| Composition | C (61.32%), H (5.61%), Cl (8.23%), F (4.41%), N (13%), O (7.43%) |
| Atom Count | 54 |
| PI | 12.63 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCCN1CCCC1 |
| InChI | 1S/C22H24ClFN4O2/c1-29-20-13-19-16(12-21(20)30-10-4-9-28-7-2-3-8-28)22(26-14-25-19)27-15-5-6-18(24)1
7(23)11-15/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26,27) |
| InChIKey | XGPAXWVNLWKLEF-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 |
19077516
|
| Drug Bank Link | - |
| ChemSpider Link | 13940747 |
| ChEMBL Link | CHEMBL299672 |
