| General Property |
| Molceule ID (DB) | EGIN0001987 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12l compound |
| IUPAC Name | 1-(4-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}piperazin-1-yl)ethan-1-one |
| Formula | C25H27ClN8O3 |
| Mass | 522.987 |
| Exact Mass | 522.1894645 |
| Composition | C (57.41%), H (5.2%), Cl (6.78%), N (21.43%), O (9.18%) |
| Atom Count | 64 |
| PI | 9.09 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CCN(CC1)C(=O)C)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C25H27ClN8O3/c1-17(35)34-10-8-33(9-11-34)12-13-36-25-22-23(28-16-29-24(22)31-32-25)30-18-5-6-21(2
0(26)14-18)37-15-19-4-2-3-7-27-19/h2-7,14,16H,8-13,15H2,1H3,(H2,28,29,30,31,32) |
| InChIKey | JNCKWWADGCZZGL-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 | 18182285 |
| 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 |
11606101
|
| Drug Bank Link | - |
| ChemSpider Link | 9780857 |
| ChEMBL Link | CHEMBL258270 |
