| General Property |
| Molceule ID (DB) | EGIN0003376 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7r compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(thiomorpholin-4-yl)but-2-enamide |
| Formula | C33H32ClN5O3S |
| Mass | 614.157 |
| Exact Mass | 613.1914383 |
| Composition | C (64.54%), H (5.25%), Cl (5.77%), N (11.4%), O (7.82%), S (5.22%) |
| Atom Count | 75 |
| PI | 10.04 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CCSCC1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C33H32ClN5O3S/c1-2-41-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-43-16-14-39)33(24(20-35)21-36
-28)37-25-10-11-30(27(34)17-25)42-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38
,40)/b9-6+ |
| InChIKey | DVUATEKKQZRNJW-RMKNXTFCSA-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 |
11354013
|
| Drug Bank Link | - |
| ChemSpider Link | 9528948 |
| ChEMBL Link | CHEMBL175557 |
