| General Property |
| Molceule ID (DB) | EGIN0002165 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP362 |
| IUPAC Name | 1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C20H25N5O2 |
| Mass | 367.4448 |
| Exact Mass | 367.2008251 |
| Composition | C (65.37%), H (6.86%), N (19.06%), O (8.71%) |
| Atom Count | 52 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCCCC1)c1cc(c(cc1)OCC)OC |
| InChI | 1S/C20H25N5O2/c1-3-27-15-10-9-13(11-16(15)26-2)18-17-19(21)22-12-23-20(17)25(24-18)14-7-5-4-6-8-14/h
9-12,14H,3-8H2,1-2H3,(H2,21,22,23) |
| InChIKey | HKWNGVFHUCRTTQ-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 |
24905298
|
| Drug Bank Link | - |
| ChemSpider Link | 24605160 |
| ChEMBL Link | CHEMBL1242659 |
