| General Property |
| Molceule ID (DB) | EGIN0003336 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8s compound |
| IUPAC Name | (2E)-N-[4-({4-[benzyl(methyl)amino]-3-chlorophenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C32H33ClN6O2 |
| Mass | 569.096 |
| Exact Mass | 568.235352 |
| Composition | C (67.54%), H (5.84%), Cl (6.23%), N (14.77%), O (5.62%) |
| Atom Count | 74 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(N(Cc2ccccc2)C)cc1)Cl |
| InChI | 1S/C32H33ClN6O2/c1-5-41-30-18-27-25(17-28(30)37-31(40)12-9-15-38(2)3)32(23(19-34)20-35-27)36-24-13-1
4-29(26(33)16-24)39(4)21-22-10-7-6-8-11-22/h6-14,16-18,20H,5,15,21H2,1-4H3,(H,35,36)(H,37,40)/b12-9+ |
| InChIKey | BMTLFVUIPBHECG-FMIVXFBMSA-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 |
11180599
|
| Drug Bank Link | - |
| ChemSpider Link | 9355689 |
| ChEMBL Link | CHEMBL175552 |
