| General Property |
| Molceule ID (DB) | EGIN0000985 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | ethyl 3-({5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzoate |
| Formula | C17H18N4O2 |
| Mass | 310.3504 |
| Exact Mass | 310.1429758 |
| Composition | C (65.79%), H (5.85%), N (18.05%), O (10.31%) |
| Atom Count | 41 |
| PI | 10.4 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)C(=O)OCC)c(c([nH]2)C)C |
| InChI | 1S/C17H18N4O2/c1-4-23-17(22)12-6-5-7-13(8-12)21-16-14-10(2)11(3)20-15(14)18-9-19-16/h5-9H,4H2,1-3H3,
(H2,18,19,20,21) |
| InChIKey | UDVGQDGGFAFFDU-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 |
10495153
|
| Drug Bank Link | - |
| ChemSpider Link | 8670554 |
| ChEMBL Link | CHEMBL72976 |
