| General Property |
| Molceule ID (DB) | EGIN0002085 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP413 |
| IUPAC Name | 5-[4-amino-1-(azetidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol |
| Formula | C14H13FN6O |
| Mass | 300.291 |
| Exact Mass | 300.1134873 |
| Composition | C (56%), H (4.36%), F (6.33%), N (27.99%), O (5.33%) |
| Atom Count | 35 |
| PI | 8.59 |
| Smiles | n1cnc2c(c1N)c(nn2C1CNC1)c1cc(c(cc1)F)O |
| InChI | 1S/C14H13FN6O/c15-9-2-1-7(3-10(9)22)12-11-13(16)18-6-19-14(11)21(20-12)8-4-17-5-8/h1-3,6,8,17,22H,4-
5H2,(H2,16,18,19) |
| InChIKey | VPSLBUMYCILBRD-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 |
24905314
|
| Drug Bank Link | - |
| ChemSpider Link | 24605144 |
| ChEMBL Link | CHEMBL1242567 |
