| General Property |
| Molceule ID (DB) | EGIN0003591 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | 3-N-(3-chlorophenyl)-4-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C17H13ClN6 |
| Mass | 336.778 |
| Exact Mass | 336.0890222 |
| Composition | C (60.63%), H (3.89%), Cl (10.53%), N (24.95%) |
| Atom Count | 37 |
| PI | 7.93 |
| Smiles | c1(c2c(ncnc2n[nH]1)Nc1ccccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H13ClN6/c18-11-5-4-8-13(9-11)22-17-14-15(19-10-20-16(14)23-24-17)21-12-6-2-1-3-7-12/h1-10H,(H3
,19,20,21,22,23,24) |
| InChIKey | XCZCKVIRXXMKJC-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 | v-Abl | c-Src | PKC alpha | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4484994 |
| ChEMBL Link | CHEMBL121260 |
