| General Property |
| Molceule ID (DB) | EGIN0002063 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP20 |
| IUPAC Name | tert-butyl N-{4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate |
| Formula | C20H26N6O3 |
| Mass | 398.4588 |
| Exact Mass | 398.2066387 |
| Composition | C (60.29%), H (6.58%), N (21.09%), O (12.05%) |
| Atom Count | 55 |
| PI | 9.36 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)NC(=O)OC(C)(C)C)OC |
| InChI | 1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)
5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23) |
| InChIKey | LVOBTCONHRNJJA-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 |
24905150
|
| Drug Bank Link | - |
| ChemSpider Link | 24605310 |
| ChEMBL Link | CHEMBL1241481 |
