| General Property |
| Molceule ID (DB) | EGIN0000887 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 57 compound |
| IUPAC Name | 4-[(3-bromophenyl)amino]-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile |
| Formula | C22H22BrN3O4 |
| Mass | 472.332 |
| Exact Mass | 471.0793689 |
| Composition | C (55.94%), H (4.69%), Br (16.92%), N (8.9%), O (13.55%) |
| Atom Count | 52 |
| PI | 10.76 |
| Smiles | c12c(cc(c(c1)OCCOC)OCCOC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C22H22BrN3O4/c1-27-6-8-29-20-11-18-19(12-21(20)30-9-7-28-2)25-14-15(13-24)22(18)26-17-5-3-4-16(23
)10-17/h3-5,10-12,14H,6-9H2,1-2H3,(H,25,26) |
| InChIKey | NVHCPPNJEXAXNA-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 |
5328882
|
| Drug Bank Link | - |
| ChemSpider Link | 4486044 |
| ChEMBL Link | CHEMBL109515 |
