| General Property |
| Molceule ID (DB) | EGIN0004666 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 32 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(piperidin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C23H26ClFN4O2 |
| Mass | 444.93 |
| Exact Mass | 444.172832 |
| Composition | C (62.09%), H (5.89%), Cl (7.97%), F (4.27%), N (12.59%), O (7.19%) |
| Atom Count | 57 |
| PI | 12.57 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCCN1CCCCC1 |
| InChI | 1S/C23H26ClFN4O2/c1-30-21-14-20-17(13-22(21)31-11-5-10-29-8-3-2-4-9-29)23(27-15-26-20)28-16-6-7-19(2
5)18(24)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,26,27,28) |
| InChIKey | IFIRBZOPPUFQRQ-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 |
19077486
|
| Drug Bank Link | - |
| ChemSpider Link | 13940717 |
| ChEMBL Link | CHEMBL291514 |
