| General Property |
| Molceule ID (DB) | EGIN0002219 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP81 |
| IUPAC Name | 3-(4-amino-3-methoxyphenyl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C17H20N6O |
| Mass | 324.3803 |
| Exact Mass | 324.1698593 |
| Composition | C (62.95%), H (6.21%), N (25.91%), O (4.93%) |
| Atom Count | 44 |
| PI | 13.1 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc(c(cc1)N)OC |
| InChI | 1S/C17H20N6O/c1-24-13-8-10(6-7-12(13)18)15-14-16(19)20-9-21-17(14)23(22-15)11-4-2-3-5-11/h6-9,11H,2-
5,18H2,1H3,(H2,19,20,21) |
| InChIKey | ZTQOHJNXDAUMOA-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 |
24905183
|
| Drug Bank Link | - |
| ChemSpider Link | 24605277 |
| ChEMBL Link | CHEMBL1241581 |
