| General Property |
| Molceule ID (DB) | EGIN0003599 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | tert-butyl N-[4-({4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl}amino)phenyl]carbamate |
| Formula | C22H22ClN7O2 |
| Mass | 451.909 |
| Exact Mass | 451.1523507 |
| Composition | C (58.47%), H (4.91%), Cl (7.85%), N (21.7%), O (7.08%) |
| Atom Count | 54 |
| PI | 7.93 |
| Smiles | c1(c2c(ncnc2n[nH]1)Nc1cc(Cl)ccc1)Nc1ccc(NC(=O)OC(C)(C)C)cc1 |
| InChI | 1S/C22H22ClN7O2/c1-22(2,3)32-21(31)28-15-9-7-14(8-10-15)26-20-17-18(24-12-25-19(17)29-30-20)27-16-6-
4-5-13(23)11-16/h4-12H,1-3H3,(H,28,31)(H3,24,25,26,27,29,30) |
| InChIKey | UJPPYLLBYAYYPH-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 | 9357527 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src alpha | PKC alpha | v-Abl | CDK1 | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4485002 |
| ChEMBL Link | CHEMBL120703 |
