| General Property |
| Molceule ID (DB) | EGIN0003323 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 21b compound |
| IUPAC Name | (2E)-N-{4-[(1-benzyl-2,3-dihydro-1H-indol-5-yl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C33H34N6O2 |
| Mass | 546.6621 |
| Exact Mass | 546.2743244 |
| Composition | C (72.5%), H (6.27%), N (15.37%), O (5.85%) |
| Atom Count | 75 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc2c(N(Cc3ccccc3)CC2)cc1 |
| InChI | 1S/C33H34N6O2/c1-4-41-31-19-28-27(18-29(31)37-32(40)11-8-15-38(2)3)33(25(20-34)21-35-28)36-26-12-13-
30-24(17-26)14-16-39(30)22-23-9-6-5-7-10-23/h5-13,17-19,21H,4,14-16,22H2,1-3H3,(H,35,36)(H,37,40)/b1
1-8+ |
| InChIKey | BJAGGLCSYNEXDA-DHZHZOJOSA-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 | 15715478 |
| 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 |
11387244
|
| Drug Bank Link | - |
| ChemSpider Link | 9562155 |
| ChEMBL Link | CHEMBL179310 |
