| General Property |
| Molceule ID (DB) | EGIN0003605 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C19H17ClN6O |
| Mass | 380.831 |
| Exact Mass | 380.1152369 |
| Composition | C (59.92%), H (4.5%), Cl (9.31%), N (22.07%), O (4.2%) |
| Atom Count | 44 |
| PI | 8.09 |
| Smiles | c1(c2c([nH]nc2ncn1)NCc1ccc(cc1)OC)Nc1cc(Cl)ccc1 |
| InChI | 1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/
h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26) |
| InChIKey | KGHAUONMJSXUDW-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4485008 |
| ChEMBL Link | CHEMBL122245 |
