| General Property |
| Molceule ID (DB) | EGIN0000986 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 3-({5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzonitrile |
| Formula | C15H13N5 |
| Mass | 263.2972 |
| Exact Mass | 263.1170954 |
| Composition | C (68.42%), H (4.98%), N (26.6%) |
| Atom Count | 33 |
| PI | 10.43 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)C#N)c(c([nH]2)C)C |
| InChI | 1S/C15H13N5/c1-9-10(2)19-14-13(9)15(18-8-17-14)20-12-5-3-4-11(6-12)7-16/h3-6,8H,1-2H3,(H2,17,18,19,2
0) |
| InChIKey | MPFUPSNMAKEAKB-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 | 8691423 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
10635276
|
| Drug Bank Link | - |
| ChemSpider Link | 8810638 |
| ChEMBL Link | CHEMBL75208 |
