| General Property |
| Molceule ID (DB) | EGIN0002222 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP88 |
| IUPAC Name | tert-butyl 5-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-1H-indole-1-carboxylate |
| Formula | C23H26N6O2 |
| Mass | 418.4915 |
| Exact Mass | 418.2117241 |
| Composition | C (66.01%), H (6.26%), N (20.08%), O (7.65%) |
| Atom Count | 57 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)n(cc2)C(=O)OC(C)(C)C |
| InChI | 1S/C23H26N6O2/c1-23(2,3)31-22(30)28-11-10-14-12-15(8-9-17(14)28)19-18-20(24)25-13-26-21(18)29(27-19)
16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H2,24,25,26) |
| InChIKey | FASPJDRKOSUHHS-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 |
24905187
|
| Drug Bank Link | - |
| ChemSpider Link | 24605273 |
| ChEMBL Link | CHEMBL1242853 |
