| General Property |
| Molceule ID (DB) | EGIN0003595 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 4-N-(3-chlorophenyl)-3-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C18H15ClN6O |
| Mass | 366.804 |
| Exact Mass | 366.0995868 |
| Composition | C (58.94%), H (4.12%), Cl (9.67%), N (22.91%), O (4.36%) |
| Atom Count | 41 |
| PI | 7.93 |
| Smiles | c1(c2c(ncnc2n[nH]1)Nc1cc(Cl)ccc1)Nc1ccc(cc1)OC |
| InChI | 1S/C18H15ClN6O/c1-26-14-7-5-12(6-8-14)22-18-15-16(20-10-21-17(15)24-25-18)23-13-4-2-3-11(19)9-13/h2-
10H,1H3,(H3,20,21,22,23,24,25) |
| InChIKey | DVTLAQZTCJXBPC-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 4484998 |
| ChEMBL Link | CHEMBL122411 |
