| General Property |
| Molceule ID (DB) | EGIN0000984 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 3-({5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzoic acid |
| Formula | C15H14N4O2 |
| Mass | 282.2973 |
| Exact Mass | 282.1116757 |
| Composition | C (63.82%), H (5%), N (19.85%), O (11.34%) |
| Atom Count | 35 |
| PI | 5.42 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)C(=O)O)c(c([nH]2)C)C |
| InChI | 1S/C15H14N4O2/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(6-11)15(20)21/h3-7H,1-2H3,(H,20,21)(H
2,16,17,18,19) |
| InChIKey | BLFMAJXPFSGCTK-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 |
10826740
|
| Drug Bank Link | - |
| ChemSpider Link | 9002040 |
| ChEMBL Link | CHEMBL431001 |
