| General Property |
| Molceule ID (DB) | EGIN0003593 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C17H12BrClN6 |
| Mass | 415.674 |
| Exact Mass | 413.9995348 |
| Composition | C (49.12%), H (2.91%), Br (19.22%), Cl (8.53%), N (20.22%) |
| Atom Count | 37 |
| PI | 7.93 |
| Smiles | c1(c2c(ncnc2n[nH]1)Nc1cc(Br)ccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H12BrClN6/c18-10-3-1-5-12(7-10)22-15-14-16(21-9-20-15)24-25-17(14)23-13-6-2-4-11(19)8-13/h1-9H
,(H3,20,21,22,23,24,25) |
| InChIKey | JUKRBPQFJFOIDS-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 | 4484996 |
| ChEMBL Link | CHEMBL120319 |
