| General Property |
| Molceule ID (DB) | EGIN0003594 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 3-N-(3-chlorophenyl)-4-N-(3-methylphenyl)-5H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C18H15ClN6 |
| Mass | 350.805 |
| Exact Mass | 350.1046722 |
| Composition | C (61.63%), H (4.31%), Cl (10.11%), N (23.96%) |
| Atom Count | 40 |
| PI | 3.34 |
| Smiles | c1(c2c([nH]cnc2nn1)Nc1cc(ccc1)C)Nc1cc(Cl)ccc1 |
| InChI | 1S/C18H15ClN6/c1-11-4-2-6-13(8-11)22-16-15-17(21-10-20-16)24-25-18(15)23-14-7-3-5-12(19)9-14/h2-10H,
1H3,(H3,20,21,22,23,24,25) |
| InChIKey | PLZVTPONFFMTDM-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 | PKC alpha | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4484997 |
| ChEMBL Link | CHEMBL120069 |
