| General Property |
| Molceule ID (DB) | EGIN0002188 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP452 |
| IUPAC Name | 5-{4-amino-1-[(2R)-1-aminopropan-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol |
| Formula | C14H15ClN6O |
| Mass | 318.762 |
| Exact Mass | 318.0995868 |
| Composition | C (52.75%), H (4.74%), Cl (11.12%), N (26.36%), O (5.02%) |
| Atom Count | 37 |
| PI | 8.61 |
| Smiles | n1cnc2c(c1N)c(nn2[C@@H](CN)C)c1cc(c(cc1)Cl)O |
| InChI | 1S/C14H15ClN6O/c1-7(5-16)21-14-11(13(17)18-6-19-14)12(20-21)8-2-3-9(15)10(22)4-8/h2-4,6-7,22H,5,16H2
,1H3,(H2,17,18,19)/t7-/m1/s1 |
| InChIKey | NVHKWMBHTXQWRP-SSDOTTSWSA-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 |
24905322
|
| Drug Bank Link | - |
| ChemSpider Link | 24605136 |
| ChEMBL Link | CHEMBL1241579 |
