| General Property |
| Molceule ID (DB) | EGIN0003600 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 3-N-(4-aminophenyl)-4-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C17H14ClN7 |
| Mass | 351.793 |
| Exact Mass | 351.0999212 |
| Composition | C (58.04%), H (4.01%), Cl (10.08%), N (27.87%) |
| Atom Count | 39 |
| PI | 8.43 |
| Smiles | c1(c2c(ncnc2n[nH]1)Nc1cc(Cl)ccc1)Nc1ccc(N)cc1 |
| InChI | 1S/C17H14ClN7/c18-10-2-1-3-13(8-10)23-15-14-16(21-9-20-15)24-25-17(14)22-12-6-4-11(19)5-7-12/h1-9H,1
9H2,(H3,20,21,22,23,24,25) |
| InChIKey | KMXFOTQAKQWIOA-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 | CDK1 | PKC alpha | v-Abl | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485003 |
| ChEMBL Link | CHEMBL332612 |
