| General Property |
| Molceule ID (DB) | EGIN0003603 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 4-N-(3-chlorophenyl)-3-N-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| Formula | C18H14Cl2N6 |
| Mass | 385.25 |
| Exact Mass | 384.0656999 |
| Composition | C (56.12%), H (3.66%), Cl (18.41%), N (21.81%) |
| Atom Count | 40 |
| PI | 8.09 |
| Smiles | c1(c2c([nH]nc2ncn1)NCc1cc(Cl)ccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C18H14Cl2N6/c19-12-4-1-3-11(7-12)9-21-17-15-16(22-10-23-18(15)26-25-17)24-14-6-2-5-13(20)8-14/h1-
8,10H,9H2,(H3,21,22,23,24,25,26) |
| InChIKey | QFEGUXCVHFPAEW-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 | PKC alpha | v-Abl | CDK1 | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485006 |
| ChEMBL Link | CHEMBL333231 |
