| General Property |
| Molceule ID (DB) | EGIN0003612 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | tert-butyl N-(4-{4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)carbamate |
| Formula | C22H21ClN6O2 |
| Mass | 436.894 |
| Exact Mass | 436.1414517 |
| Composition | C (60.48%), H (4.84%), Cl (8.11%), N (19.24%), O (7.32%) |
| Atom Count | 52 |
| PI | 8.03 |
| Smiles | c12c(ncnc2n[nH]c1c1ccc(NC(=O)OC(C)(C)C)cc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C22H21ClN6O2/c1-22(2,3)31-21(30)27-15-9-7-13(8-10-15)18-17-19(24-12-25-20(17)29-28-18)26-16-6-4-5
-14(23)11-16/h4-12H,1-3H3,(H,27,30)(H2,24,25,26,28,29) |
| InChIKey | FDHOXGIXMNBPSE-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | PKC alpha | v-Abl | CDK1 | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485015 |
| ChEMBL Link | CHEMBL420885 |
