| General Property |
| Molceule ID (DB) | EGIN0003606 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-(3-chlorophenyl)-3-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C17H12ClN5 |
| Mass | 321.764 |
| Exact Mass | 321.0781231 |
| Composition | C (63.46%), H (3.76%), Cl (11.02%), N (21.77%) |
| Atom Count | 35 |
| PI | 3.71 |
| Smiles | c12c([nH]cnc2nnc1c1ccccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H12ClN5/c18-12-7-4-8-13(9-12)21-16-14-15(11-5-2-1-3-6-11)22-23-17(14)20-10-19-16/h1-10H,(H2,19
,20,21,22,23) |
| InChIKey | JBHXXYIRQFVFOU-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 | CDK1 | v-Abl | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4485009 |
| ChEMBL Link | CHEMBL119977 |
