| General Property |
| Molceule ID (DB) | EGIN0003309 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7c compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-3-cyano-7-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C27H26ClN7O2S |
| Mass | 548.059 |
| Exact Mass | 547.1557215 |
| Composition | C (59.17%), H (4.78%), Cl (6.47%), N (17.89%), O (5.84%), S (5.85%) |
| Atom Count | 64 |
| PI | 10.68 |
| Smiles | c1(n(ccn1)C)Sc1c(cc(Nc2c3c(ncc2C#N)cc(c(c3)NC(=O)/C=CCN(C)C)OC)cc1)Cl |
| InChI | 1S/C27H26ClN7O2S/c1-34(2)10-5-6-25(36)33-22-13-19-21(14-23(22)37-4)31-16-17(15-29)26(19)32-18-7-8-24
(20(28)12-18)38-27-30-9-11-35(27)3/h5-9,11-14,16H,10H2,1-4H3,(H,31,32)(H,33,36)/b6-5+ |
| InChIKey | BQZMCLZHBMFQQD-AATRIKPKSA-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 |
11421443
|
| Drug Bank Link | - |
| ChemSpider Link | 9596328 |
| ChEMBL Link | CHEMBL180175 |
