| General Property |
| Molceule ID (DB) | EGIN0002089 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP44 |
| IUPAC Name | 3-(2,1,3-benzoxadiazol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C14H13N7O |
| Mass | 295.2993 |
| Exact Mass | 295.1181581 |
| Composition | C (56.94%), H (4.44%), N (33.2%), O (5.42%) |
| Atom Count | 35 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)non2 |
| InChI | 1S/C14H13N7O/c1-7(2)21-14-11(13(15)16-6-17-14)12(18-21)8-3-4-9-10(5-8)20-22-19-9/h3-7H,1-2H3,(H2,15,
16,17) |
| InChIKey | CYKWMIZUFXPHFW-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 |
24905165
|
| Drug Bank Link | - |
| ChemSpider Link | 24605296 |
| ChEMBL Link | CHEMBL1241492 |
