| General Property |
| Molceule ID (DB) | EGIN0000868 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | 6,7-dimethoxy-4-{[4-(propan-2-yl)phenyl]amino}quinoline-3-carbonitrile |
| Formula | C21H21N3O2 |
| Mass | 347.4103 |
| Exact Mass | 347.1633769 |
| Composition | C (72.6%), H (6.09%), N (12.1%), O (9.21%) |
| Atom Count | 47 |
| PI | 11.1 |
| Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1ccc(cc1)C(C)C)C#N |
| InChI | 1S/C21H21N3O2/c1-13(2)14-5-7-16(8-6-14)24-21-15(11-22)12-23-18-10-20(26-4)19(25-3)9-17(18)21/h5-10,1
2-13H,1-4H3,(H,23,24) |
| InChIKey | GRSMJKZUNQCQJN-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 | 10966743 |
| 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 |
5328863
|
| Drug Bank Link | - |
| ChemSpider Link | 4486025 |
| ChEMBL Link | CHEMBL323424 |
