| General Property |
| Molceule ID (DB) | EGIN0001846 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12a compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
| Formula | C26H26ClN5O2 |
| Mass | 475.97 |
| Exact Mass | 475.1775028 |
| Composition | C (65.61%), H (5.51%), Cl (7.45%), N (14.71%), O (6.72%) |
| Atom Count | 60 |
| PI | 12.02 |
| Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2ncccc2)cc1)Cl |
| InChI | 1S/C26H26ClN5O2/c1-32-13-10-20(11-14-32)34-24-7-4-6-22-25(24)26(30-17-29-22)31-18-8-9-23(21(27)15-18
)33-16-19-5-2-3-12-28-19/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H,29,30,31) |
| InChIKey | MKNGJNHUZSCTJU-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 | 16055332 |
| 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 |
10288761
|
| Drug Bank Link | - |
| ChemSpider Link | 8464230 |
| ChEMBL Link | CHEMBL193544 |
