| General Property |
| Molceule ID (DB) | EGIN0003388 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 84 compound |
| IUPAC Name | N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide |
| Formula | C33H32ClN5O4 |
| Mass | 598.091 |
| Exact Mass | 597.2142822 |
| Composition | C (66.27%), H (5.39%), Cl (5.93%), N (11.71%), O (10.7%) |
| Atom Count | 75 |
| PI | 9.32 |
| Smiles | c12c(c(C#N)cnc1cc(c(NC(=O)C(=C)CN1CCOCC1)c2)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C33H32ClN5O4/c1-3-42-31-17-28-26(16-29(31)38-33(40)22(2)20-39-11-13-41-14-12-39)32(24(18-35)19-36
-28)37-25-9-10-30(27(34)15-25)43-21-23-7-5-4-6-8-23/h4-10,15-17,19H,2-3,11-14,20-21H2,1H3,(H,36,37)(
H,38,40) |
| InChIKey | GASRAFPOGFLNOD-UHFFFAOYSA-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 |
11342405
|
| Drug Bank Link | - |
| ChemSpider Link | 9517347 |
| ChEMBL Link | CHEMBL179607 |
