| General Property |
| Molceule ID (DB) | EGIN0003611 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 3-(3-aminophenyl)-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 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 | 8.11 |
| Smiles | c12c(ncnc2n[nH]c1c1cc(N)ccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H13ClN6/c18-11-4-2-6-13(8-11)22-16-14-15(10-3-1-5-12(19)7-10)23-24-17(14)21-9-20-16/h1-9H,19H2
,(H2,20,21,22,23,24) |
| InChIKey | WXPDCELKHNMODS-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 | PKC alpha | v-Abl | CDK1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485014 |
| ChEMBL Link | CHEMBL332882 |
