| General Property |
| Molceule ID (DB) | EGIN0002225 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP93 |
| IUPAC Name | 4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2,5-difluorophenol |
| Formula | C14H13F2N5O |
| Mass | 305.2827 |
| Exact Mass | 305.1088165 |
| Composition | C (55.08%), H (4.29%), F (12.45%), N (22.94%), O (5.24%) |
| Atom Count | 35 |
| PI | 6.75 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1F)O)F |
| InChI | 1S/C14H13F2N5O/c1-6(2)21-14-11(13(17)18-5-19-14)12(20-21)7-3-9(16)10(22)4-8(7)15/h3-6,22H,1-2H3,(H2,
17,18,19) |
| InChIKey | DYEJYFAQYRMVFS-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24605268 |
| ChEMBL Link | CHEMBL1242028 |
