| General Property |
| Molceule ID (DB) | EGIN0003610 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | N-(3-chlorophenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C17H11ClN6O2 |
| Mass | 366.761 |
| Exact Mass | 366.0632013 |
| Composition | C (55.67%), H (3.02%), Cl (9.67%), N (22.91%), O (8.72%) |
| Atom Count | 37 |
| PI | 8.05 |
| Smiles | c12c(ncnc2n[nH]c1c1cc([N+](=O)[O-])ccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H11ClN6O2/c18-11-4-2-5-12(8-11)21-16-14-15(22-23-17(14)20-9-19-16)10-3-1-6-13(7-10)24(25)26/h1
-9H,(H2,19,20,21,22,23) |
| InChIKey | BJCWVHPCCLIDDY-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 | c-Src | v-Abl | PKC alpha | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485013 |
| ChEMBL Link | CHEMBL118904 |
