| General Property |
| Molceule ID (DB) | EGIN0002148 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP22 |
| IUPAC Name | 3-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol |
| Formula | C14H14FN5O |
| Mass | 287.2923 |
| Exact Mass | 287.1182383 |
| Composition | C (58.53%), H (4.91%), F (6.61%), N (24.38%), O (5.57%) |
| Atom Count | 35 |
| PI | 7.33 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(cc(c1)F)O |
| InChI | 1S/C14H14FN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8/h3-7,21H,1-2H3,(H2,16,1
7,18) |
| InChIKey | MJALZBJFTIQSSR-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 | 18849971 |
| 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 |
24905342
|
| Drug Bank Link | - |
| ChemSpider Link | 24605117 |
| ChEMBL Link | CHEMBL1242198 |
