| General Property |
| Molceule ID (DB) | EGIN0000886 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 56 compound |
| IUPAC Name | 4-[(3-bromophenyl)amino]-6,7-bis(methoxymethoxy)quinoline-3-carbonitrile |
| Formula | C20H18BrN3O4 |
| Mass | 444.279 |
| Exact Mass | 443.0480687 |
| Composition | C (54.07%), H (4.08%), Br (17.99%), N (9.46%), O (14.4%) |
| Atom Count | 46 |
| PI | 10.65 |
| Smiles | c12c(cc(c(c1)OCOC)OCOC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C20H18BrN3O4/c1-25-11-27-18-7-16-17(8-19(18)28-12-26-2)23-10-13(9-22)20(16)24-15-5-3-4-14(21)6-15
/h3-8,10H,11-12H2,1-2H3,(H,23,24) |
| InChIKey | TUZMSVARIRHFNQ-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 |
5328881
|
| Drug Bank Link | - |
| ChemSpider Link | 4486043 |
| ChEMBL Link | CHEMBL111222 |
