| General Property |
| Molceule ID (DB) | EGIN0000999 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 33 compound |
| IUPAC Name | 4-(3-chlorophenoxy)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine |
| Formula | C14H12ClN3O |
| Mass | 273.718 |
| Exact Mass | 273.0668897 |
| Composition | C (61.43%), H (4.42%), Cl (12.95%), N (15.35%), O (5.85%) |
| Atom Count | 31 |
| PI | 8.81 |
| Smiles | n1cnc2c(c1Oc1cc(ccc1)Cl)c(c([nH]2)C)C |
| InChI | 1S/C14H12ClN3O/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H,16,17,18) |
| InChIKey | HVDALGYOLPTPBQ-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 |
10826146
|
| Drug Bank Link | - |
| ChemSpider Link | 9001446 |
| ChEMBL Link | CHEMBL76116 |
