| General Property |
| Molceule ID (DB) | EGIN0002175 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP401 |
| IUPAC Name | 5-{4-amino-1-[(4-phenyl-1,3-oxazol-5-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
| Formula | C21H15FN6O2 |
| Mass | 402.3812 |
| Exact Mass | 402.124052 |
| Composition | C (62.68%), H (3.76%), F (4.72%), N (20.89%), O (7.95%) |
| Atom Count | 45 |
| PI | 7.26 |
| Smiles | n1cnc2c(c1N)c(nn2Cc1c(nco1)c1ccccc1)c1cc(c(cc1)F)O |
| InChI | 1S/C21H15FN6O2/c22-14-7-6-13(8-15(14)29)19-17-20(23)24-10-25-21(17)28(27-19)9-16-18(26-11-30-16)12-4
-2-1-3-5-12/h1-8,10-11,29H,9H2,(H2,23,24,25) |
| InChIKey | ICPHLXAHKNXIGM-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 |
24905308
|
| Drug Bank Link | - |
| ChemSpider Link | 24605150 |
| ChEMBL Link | CHEMBL1241482 |
