| General Property |
| Molceule ID (DB) | EGIN0002182 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP421 |
| IUPAC Name | 5-{4-amino-1-[(1R,3S)-3-methylcyclopentyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
| Formula | C17H18FN5O |
| Mass | 327.3561 |
| Exact Mass | 327.1495384 |
| Composition | C (62.37%), H (5.54%), F (5.8%), N (21.39%), O (4.89%) |
| Atom Count | 42 |
| PI | 7.27 |
| Smiles | n1cnc2c(c1N)c(nn2[C@@H]1CC[C@@H](C1)C)c1cc(c(cc1)F)O |
| InChI | 1S/C17H18FN5O/c1-9-2-4-11(6-9)23-17-14(16(19)20-8-21-17)15(22-23)10-3-5-12(18)13(24)7-10/h3,5,7-9,11
,24H,2,4,6H2,1H3,(H2,19,20,21)/t9-,11+/m0/s1 |
| InChIKey | MBPKPSDAPFPECJ-GXSJLCMTSA-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 |
11229727
|
| Drug Bank Link | - |
| ChemSpider Link | 24605143 |
| ChEMBL Link | CHEMBL1242656 |
