| General Property |
| Molceule ID (DB) | EGIN0002194 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP469 |
| IUPAC Name | 4-[4-amino-3-(4-fluoro-3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]butanenitrile |
| Formula | C15H13FN6O |
| Mass | 312.3017 |
| Exact Mass | 312.1134873 |
| Composition | C (57.69%), H (4.2%), F (6.08%), N (26.91%), O (5.12%) |
| Atom Count | 36 |
| PI | 7.28 |
| Smiles | n1cnc2c(c1N)c(nn2CCCC#N)c1cc(c(cc1)F)O |
| InChI | 1S/C15H13FN6O/c16-10-4-3-9(7-11(10)23)13-12-14(18)19-8-20-15(12)22(21-13)6-2-1-5-17/h3-4,7-8,23H,1-2
,6H2,(H2,18,19,20) |
| InChIKey | XVTLRUAQTJKQLQ-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 |
24905328
|
| Drug Bank Link | - |
| ChemSpider Link | 24605130 |
| ChEMBL Link | CHEMBL1242469 |
