| General Property |
| Molceule ID (DB) | EGIN0003614 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | 4-(3-chlorophenoxy)-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine |
| Formula | C17H11Cl2N5O |
| Mass | 372.208 |
| Exact Mass | 371.0340654 |
| Composition | C (54.86%), H (2.98%), Cl (19.05%), N (18.82%), O (4.3%) |
| Atom Count | 36 |
| PI | 7.3 |
| Smiles | c1(c2c(ncnc2n[nH]1)Oc1cc(Cl)ccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H11Cl2N5O/c18-10-3-1-5-12(7-10)22-16-14-15(23-24-16)20-9-21-17(14)25-13-6-2-4-11(19)8-13/h1-9H
,(H2,20,21,22,23,24) |
| InChIKey | PDMAVKGRERGACM-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 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485017 |
| ChEMBL Link | CHEMBL334026 |
