| General Property |
| Molceule ID (DB) | EGIN0003386 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 82 compound |
| IUPAC Name | N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)ethene-1-sulfonamide |
| Formula | C27H23ClN4O4S |
| Mass | 535.014 |
| Exact Mass | 534.1128536 |
| Composition | C (60.61%), H (4.33%), Cl (6.63%), N (10.47%), O (11.96%), S (5.99%) |
| Atom Count | 60 |
| PI | 6.11 |
| Smiles | S(=O)(=O)(Nc1cc2c(c(C#N)cnc2cc1OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl)C=C |
| InChI | 1S/C27H23ClN4O4S/c1-3-35-26-14-23-21(13-24(26)32-37(33,34)4-2)27(19(15-29)16-30-23)31-20-10-11-25(22
(28)12-20)36-17-18-8-6-5-7-9-18/h4-14,16,32H,2-3,17H2,1H3,(H,30,31) |
| InChIKey | BIHVFACLXYTHDA-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 |
11203436
|
| Drug Bank Link | - |
| ChemSpider Link | 9378504 |
| ChEMBL Link | CHEMBL179969 |
