| General Property |
| Molceule ID (DB) | EGIN0001982 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12g compound |
| IUPAC Name | 1-(2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol |
| Formula | C24H26FN7O3 |
| Mass | 479.5067 |
| Exact Mass | 479.2081159 |
| Composition | C (60.12%), H (5.47%), F (3.96%), N (20.45%), O (10.01%) |
| Atom Count | 61 |
| PI | 8.05 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)F)Oc1ccc(nc1)C |
| InChI | 1S/C24H26FN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34
-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) |
| InChIKey | KOBKLBFNTIJTTR-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 |
11670167
|
| Drug Bank Link | - |
| ChemSpider Link | 9844898 |
| ChEMBL Link | CHEMBL257873 |
