| General Property |
| Molceule ID (DB) | EGIN0001992 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12q compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(morpholin-4-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C23H24ClN7O3 |
| Mass | 481.935 |
| Exact Mass | 481.1629154 |
| Composition | C (57.32%), H (5.02%), Cl (7.36%), N (20.34%), O (9.96%) |
| Atom Count | 58 |
| PI | 9.04 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CCOCC1)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33
-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30) |
| InChIKey | GOWVVIDXCJWUFJ-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 |
11619972
|
| Drug Bank Link | - |
| ChemSpider Link | 9794720 |
| ChEMBL Link | CHEMBL271705 |
