| General Property |
| Molceule ID (DB) | EGIN0003321 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8g compound |
| IUPAC Name | (2E)-N-{4-[(1-benzyl-1H-indol-5-yl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C33H32N6O2 |
| Mass | 544.6462 |
| Exact Mass | 544.2586743 |
| Composition | C (72.77%), H (5.92%), N (15.43%), O (5.88%) |
| Atom Count | 73 |
| PI | 10.67 |
| Smiles | n1(c2c(cc1)cc(Nc1c3c(ncc1C#N)cc(c(c3)NC(=O)/C=C/CN(C)C)OCC)cc2)Cc1ccccc1 |
| InChI | 1S/C33H32N6O2/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/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,35,36)(H,37,40)/b11-8
+ |
| InChIKey | YJFISNXQNZZQFP-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 |
11376208
|
| Drug Bank Link | - |
| ChemSpider Link | 9551125 |
| ChEMBL Link | CHEMBL179652 |
