| General Property |
| Molceule ID (DB) | EGIN0001995 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 16b compound |
| IUPAC Name | 1-{3-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]propyl}piperidin-4-ol |
| Formula | C25H28ClN7O3 |
| Mass | 509.988 |
| Exact Mass | 509.1942155 |
| Composition | C (58.88%), H (5.53%), Cl (6.95%), N (19.23%), O (9.41%) |
| Atom Count | 64 |
| PI | 8.37 |
| Smiles | n1cnc(c2c1[nH]nc2OCCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35
-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) |
| InChIKey | YJELZTGEMAQGHU-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 |
11547991
|
| Drug Bank Link | - |
| ChemSpider Link | 9722770 |
| ChEMBL Link | CHEMBL257860 |
