| General Property |
| Molceule ID (DB) | EGIN0003601 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 4-N-(3-chlorophenyl)-3-N-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C19H18ClN7 |
| Mass | 379.846 |
| Exact Mass | 379.1312213 |
| Composition | C (60.08%), H (4.78%), Cl (9.33%), N (25.81%) |
| Atom Count | 45 |
| PI | 8.95 |
| Smiles | c1(c2c(ncnc2n[nH]1)Nc1cc(Cl)ccc1)Nc1ccc(N(C)C)cc1 |
| InChI | 1S/C19H18ClN7/c1-27(2)15-8-6-13(7-9-15)23-19-16-17(21-11-22-18(16)25-26-19)24-14-5-3-4-12(20)10-14/h
3-11H,1-2H3,(H3,21,22,23,24,25,26) |
| InChIKey | DBMNQXNYFIEZLF-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 | v-Abl | PKC alpha | CDK1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485004 |
| ChEMBL Link | CHEMBL332765 |
