| General Property |
| Molceule ID (DB) | EGIN0002069 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP145 |
| IUPAC Name | tert-butyl N-{6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-4-yl}carbamate |
| Formula | C22H25N7O2 |
| Mass | 419.4796 |
| Exact Mass | 419.2069731 |
| Composition | C (62.99%), H (6.01%), N (23.37%), O (7.63%) |
| Atom Count | 56 |
| PI | 9.55 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)nccc2NC(=O)OC(C)(C)C |
| InChI | 1S/C22H25N7O2/c1-12(2)29-20-17(19(23)25-11-26-20)18(28-29)13-6-7-15-14(10-13)16(8-9-24-15)27-21(30)3
1-22(3,4)5/h6-12H,1-5H3,(H2,23,25,26)(H,24,27,30) |
| InChIKey | XEFOGCQNLWUZGB-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 |
24905231
|
| Drug Bank Link | - |
| ChemSpider Link | 24605228 |
| ChEMBL Link | CHEMBL1242033 |
