| General Property |
| Molceule ID (DB) | EGIN0002193 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP465 |
| IUPAC Name | 5-{4-amino-1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
| Formula | C18H20FN5O |
| Mass | 341.3827 |
| Exact Mass | 341.1651885 |
| Composition | C (63.33%), H (5.91%), F (5.57%), N (20.51%), O (4.69%) |
| Atom Count | 45 |
| PI | 7.27 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCCCCC1)c1cc(c(cc1)F)O |
| InChI | 1S/C18H20FN5O/c19-13-8-7-11(9-14(13)25)16-15-17(20)21-10-22-18(15)24(23-16)12-5-3-1-2-4-6-12/h7-10,1
2,25H,1-6H2,(H2,20,21,22) |
| InChIKey | XNODQMMIMXSTMX-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 |
24905327
|
| Drug Bank Link | - |
| ChemSpider Link | 24605131 |
| ChEMBL Link | CHEMBL1242750 |
