| General Property |
| Molceule ID (DB) | EGIN0000888 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 58 compound |
| IUPAC Name | 8-[(3-bromophenyl)amino]-2H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile |
| Formula | C17H10BrN3O2 |
| Mass | 368.184 |
| Exact Mass | 366.9956392 |
| Composition | C (55.46%), H (2.74%), Br (21.7%), N (11.41%), O (8.69%) |
| Atom Count | 33 |
| PI | 10.64 |
| Smiles | c12c(cc3c(c1)OCO3)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C17H10BrN3O2/c18-11-2-1-3-12(4-11)21-17-10(7-19)8-20-14-6-16-15(5-13(14)17)22-9-23-16/h1-6,8H,9H2
,(H,20,21) |
| InChIKey | AVKRWJGYHFZIQI-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 |
5328883
|
| Drug Bank Link | - |
| ChemSpider Link | 4486045 |
| ChEMBL Link | CHEMBL110062 |
