| General Property |
| Molceule ID (DB) | EGIN0001775 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | 4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile |
| Formula | C24H23N3O4 |
| Mass | 417.4571 |
| Exact Mass | 417.1688562 |
| Composition | C (69.05%), H (5.55%), N (10.07%), O (15.33%) |
| Atom Count | 54 |
| PI | 10.82 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)OCCOC)OCCOC)Nc1cc(C#C)ccc1 |
| InChI | 1S/C24H23N3O4/c1-4-17-6-5-7-19(12-17)27-24-18(15-25)16-26-21-14-23(31-11-9-29-3)22(13-20(21)24)30-10
-8-28-2/h1,5-7,12-14,16H,8-11H2,2-3H3,(H,26,27) |
| InChIKey | PNKFULCCPOFCJC-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 | 12270171 |
| 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 |
9979362
|
| Drug Bank Link | - |
| ChemSpider Link | 8154954 |
| ChEMBL Link | CHEMBL95320 |
