| General Property |
| Molceule ID (DB) | EGIN0002217 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP78 |
| IUPAC Name | 3-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
| Formula | C16H16FN5O |
| Mass | 313.3295 |
| Exact Mass | 313.1338884 |
| Composition | C (61.33%), H (5.15%), F (6.06%), N (22.35%), O (5.11%) |
| Atom Count | 39 |
| PI | 7.32 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1c(c(ccc1)O)F |
| InChI | 1S/C16H16FN5O/c17-13-10(6-3-7-11(13)23)14-12-15(18)19-8-20-16(12)22(21-14)9-4-1-2-5-9/h3,6-9,23H,1-2
,4-5H2,(H2,18,19,20) |
| InChIKey | CHPHDLQQSCKHOK-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 |
24905181
|
| Drug Bank Link | - |
| ChemSpider Link | 24605279 |
| ChEMBL Link | CHEMBL1242111 |
