| General Property |
| Molceule ID (DB) | EGIN0002229 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP98 |
| IUPAC Name | 5-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-ethoxyphenol |
| Formula | C18H21N5O2 |
| Mass | 339.3916 |
| Exact Mass | 339.1695249 |
| Composition | C (63.7%), H (6.24%), N (20.64%), O (9.43%) |
| Atom Count | 46 |
| PI | 8.03 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc(c(cc1)OCC)O |
| InChI | 1S/C18H21N5O2/c1-2-25-14-8-7-11(9-13(14)24)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,1
2,24H,2-6H2,1H3,(H2,19,20,21) |
| InChIKey | HVUAYFFHDRNLOX-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 |
24905197
|
| Drug Bank Link | - |
| ChemSpider Link | 24605263 |
| ChEMBL Link | CHEMBL1242289 |
