| General Property |
| Molceule ID (DB) | EGIN0001986 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12k compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C24H27ClN8O2 |
| Mass | 494.977 |
| Exact Mass | 494.1945499 |
| Composition | C (58.24%), H (5.5%), Cl (7.16%), N (22.64%), O (6.46%) |
| Atom Count | 62 |
| PI | 8.07 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CCN(CC1)C)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)1
4-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31) |
| InChIKey | BZUIGXZUUGQBLL-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 |
11634645
|
| Drug Bank Link | - |
| ChemSpider Link | 9809389 |
| ChEMBL Link | CHEMBL258282 |
