| General Property |
| Molceule ID (DB) | EGIN0003316 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8e compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C33H29ClN6O2S2 |
| Mass | 641.205 |
| Exact Mass | 640.1481933 |
| Composition | C (61.81%), H (4.56%), Cl (5.53%), N (13.11%), O (4.99%), S (10%) |
| Atom Count | 73 |
| PI | 10.67 |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)Sc1scc(n1)c1ccccc1)OCC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C33H29ClN6O2S2/c1-4-42-29-17-26-24(16-27(29)38-31(41)11-8-14-40(2)3)32(22(18-35)19-36-26)37-23-12
-13-30(25(34)15-23)44-33-39-28(20-43-33)21-9-6-5-7-10-21/h5-13,15-17,19-20H,4,14H2,1-3H3,(H,36,37)(H
,38,41)/b11-8+ |
| InChIKey | YAWRCBHLRDCILP-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 |
11365726
|
| Drug Bank Link | - |
| ChemSpider Link | 9540650 |
| ChEMBL Link | CHEMBL367492 |
