| General Property |
| Molceule ID (DB) | EGIN0001989 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12n compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(piperazin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C23H25ClN8O2 |
| Mass | 480.95 |
| Exact Mass | 480.1788998 |
| Composition | C (57.44%), H (5.24%), Cl (7.37%), N (23.3%), O (6.65%) |
| Atom Count | 59 |
| PI | 9.05 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CCNCC1)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33
-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31) |
| InChIKey | CAZQZPUZMIOJCR-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 |
11518627
|
| Drug Bank Link | - |
| ChemSpider Link | 9693415 |
| ChEMBL Link | CHEMBL257430 |
