| General Property |
| Molceule ID (DB) | EGIN0002195 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP471 |
| IUPAC Name | 5-[4-amino-3-(4-fluoro-3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]pentanenitrile |
| Formula | C16H15FN6O |
| Mass | 326.3283 |
| Exact Mass | 326.1291373 |
| Composition | C (58.89%), H (4.63%), F (5.82%), N (25.75%), O (4.9%) |
| Atom Count | 39 |
| PI | 7.28 |
| Smiles | n1cnc2c(c1N)c(nn2CCCCC#N)c1cc(c(cc1)F)O |
| InChI | 1S/C16H15FN6O/c17-11-5-4-10(8-12(11)24)14-13-15(19)20-9-21-16(13)23(22-14)7-3-1-2-6-18/h4-5,8-9,24H,
1-3,7H2,(H2,19,20,21) |
| InChIKey | DAXOOIRHYYCDDH-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 |
24905329
|
| Drug Bank Link | - |
| ChemSpider Link | 24605129 |
| ChEMBL Link | CHEMBL1242470 |
