| General Property |
| Molceule ID (DB) | EGIN0004492 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 4b |
| IUPAC Name | ol |
| Formula | C27H32BrN4O4 |
| Mass | 556.471 |
| Exact Mass | 555.1606932 |
| Composition | C (58.28%), H (5.8%), Br (14.36%), N (10.07%), O (11.5%) |
| Atom Count | 68 |
| PI | 10.64 |
| Smiles | c1c(c(cc2c1c(c(cn2)C(=O)NC1CC(N(C(C1)(C)C)[O])(C)C)Nc1cccc(c1)Br)OC)OC |
| InChI | 1S/C27H32BrN4O4/c1-26(2)13-18(14-27(3,4)32(26)34)31-25(33)20-15-29-21-12-23(36-6)22(35-5)11-19(21)24
(20)30-17-9-7-8-16(28)10-17/h7-12,15,18H,13-14H2,1-6H3,(H,29,30)(H,31,33) |
| InChIKey | BCURFDAGXNHOAX-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 | 22309911 |
| 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 |
57398688
|
| Drug Bank Link | - |
| ChemSpider Link | 28490334 |
| ChEMBL Link | CHEMBL1947127 |
