| General Property |
| Molceule ID (DB) | EGIN0001977 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12b compound |
| IUPAC Name | 1-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}piperidin-4-ol |
| Formula | C24H26ClN7O3 |
| Mass | 495.961 |
| Exact Mass | 495.1785654 |
| Composition | C (58.12%), H (5.28%), Cl (7.15%), N (19.77%), O (9.68%) |
| Atom Count | 61 |
| PI | 8.05 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34
-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31) |
| InChIKey | OOWWSELYEWEGFH-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 |
11698913
|
| Drug Bank Link | - |
| ChemSpider Link | 9873638 |
| ChEMBL Link | CHEMBL404405 |
