| General Property |
| Molceule ID (DB) | EGIN0003315 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8d compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(5-phenyl-1,3-thiazol-2-yl)sulfanyl]phenyl}amino)-3-cyano-7-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C32H27ClN6O2S2 |
| Mass | 627.179 |
| Exact Mass | 626.1325432 |
| Composition | C (61.28%), H (4.34%), Cl (5.65%), N (13.4%), O (5.1%), S (10.23%) |
| Atom Count | 70 |
| PI | 10.68 |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)Sc1sc(cn1)c1ccccc1)Cl)OC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C32H27ClN6O2S2/c1-39(2)13-7-10-30(40)38-26-15-23-25(16-27(26)41-3)35-18-21(17-34)31(23)37-22-11-1
2-28(24(33)14-22)42-32-36-19-29(43-32)20-8-5-4-6-9-20/h4-12,14-16,18-19H,13H2,1-3H3,(H,35,37)(H,38,4
0)/b10-7+ |
| InChIKey | BXBBCTASDUZGMZ-JXMROGBWSA-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 |
11786930
|
| Drug Bank Link | - |
| ChemSpider Link | 9961608 |
| ChEMBL Link | CHEMBL175558 |
