| General Property |
| Molceule ID (DB) | EGIN0002087 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP428 |
| IUPAC Name | 5-{4-amino-1-[(3S)-oxolan-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol |
| Formula | C15H14ClN5O2 |
| Mass | 331.757 |
| Exact Mass | 331.0836024 |
| Composition | C (54.3%), H (4.25%), Cl (10.69%), N (21.11%), O (9.65%) |
| Atom Count | 37 |
| PI | 7.02 |
| Smiles | n1cnc2c(c1N)c(nn2[C@H]1CCOC1)c1cc(c(cc1)Cl)O |
| InChI | 1S/C15H14ClN5O2/c16-10-2-1-8(5-11(10)22)13-12-14(17)18-7-19-15(12)21(20-13)9-3-4-23-6-9/h1-2,5,7,9,2
2H,3-4,6H2,(H2,17,18,19)/t9-/m0/s1 |
| InChIKey | COAQRADEUYYCDG-VIFPVBQESA-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 |
24905317
|
| Drug Bank Link | - |
| ChemSpider Link | 24605141 |
| ChEMBL Link | CHEMBL1241678 |
