| General Property |
| Molceule ID (DB) | EGIN0000880 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 50 compound |
| IUPAC Name | 9-[(3-bromophenyl)amino]-2H,3H-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile |
| Formula | C18H12BrN3O2 |
| Mass | 382.211 |
| Exact Mass | 381.0112893 |
| Composition | C (56.56%), H (3.16%), Br (20.91%), N (10.99%), O (8.37%) |
| Atom Count | 36 |
| PI | 10.76 |
| Smiles | c12c(cc3c(c1)OCCO3)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C18H12BrN3O2/c19-12-2-1-3-13(6-12)22-18-11(9-20)10-21-15-8-17-16(7-14(15)18)23-4-5-24-17/h1-3,6-8
,10H,4-5H2,(H,21,22) |
| InChIKey | XXZCQPXVPDUWAA-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 |
5328875
|
| Drug Bank Link | - |
| ChemSpider Link | 4486037 |
| ChEMBL Link | CHEMBL111442 |
