| General Property |
| Molceule ID (DB) | EGIN0001847 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12b compound |
| IUPAC Name | N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
| Formula | C25H25ClN6O2 |
| Mass | 476.958 |
| Exact Mass | 476.1727518 |
| Composition | C (62.95%), H (5.28%), Cl (7.43%), N (17.62%), O (6.71%) |
| Atom Count | 59 |
| PI | 12.02 |
| Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2nccnc2)cc1)Cl |
| InChI | 1S/C25H25ClN6O2/c1-32-11-7-19(8-12-32)34-23-4-2-3-21-24(23)25(30-16-29-21)31-17-5-6-22(20(26)13-17)3
3-15-18-14-27-9-10-28-18/h2-6,9-10,13-14,16,19H,7-8,11-12,15H2,1H3,(H,29,30,31) |
| InChIKey | HHHOBSDBLSOFLQ-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 |
10162630
|
| Drug Bank Link | - |
| ChemSpider Link | 8338137 |
| ChEMBL Link | CHEMBL436511 |
