| General Property |
| Molceule ID (DB) | EGIN0002173 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP399 |
| IUPAC Name | 5-{4-amino-1-[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
| Formula | C21H17FN8O |
| Mass | 416.4111 |
| Exact Mass | 416.1509354 |
| Composition | C (60.57%), H (4.11%), F (4.56%), N (26.91%), O (3.84%) |
| Atom Count | 48 |
| PI | 7.26 |
| Smiles | n1cnc2c(c1N)c(nn2Cc1nn(nc1C)c1ccccc1)c1cc(c(cc1)F)O |
| InChI | 1S/C21H17FN8O/c1-12-16(27-30(26-12)14-5-3-2-4-6-14)10-29-21-18(20(23)24-11-25-21)19(28-29)13-7-8-15(
22)17(31)9-13/h2-9,11,31H,10H2,1H3,(H2,23,24,25) |
| InChIKey | IYVUNPAVFASLSV-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 |
24905307
|
| Drug Bank Link | - |
| ChemSpider Link | 24605151 |
| ChEMBL Link | CHEMBL1242845 |
