| General Property |
| Molceule ID (DB) | EGIN0004723 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 20 |
| IUPAC Name | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-(piperidin-1-yl)propanamide |
| Formula | C32H33ClN6O3 |
| Mass | 585.096 |
| Exact Mass | 584.2302667 |
| Composition | C (65.69%), H (5.68%), Cl (6.06%), N (14.36%), O (8.2%) |
| Atom Count | 75 |
| PI | 10.69 |
| Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)OCc1ccccn1)OCC)NC(=O)CCN1CCCCC1 |
| InChI | 1S/C32H33ClN6O3/c1-2-41-30-18-27-25(17-28(30)38-31(40)11-15-39-13-6-3-7-14-39)32(22(19-34)20-36-27)3
7-23-9-10-29(26(33)16-23)42-21-24-8-4-5-12-35-24/h4-5,8-10,12,16-18,20H,2-3,6-7,11,13-15,21H2,1H3,(H
,36,37)(H,38,40) |
| InChIKey | KNUFYYKLIKWKII-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 | 22280453 |
| 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 |
46831433
|
| Drug Bank Link | - |
| ChemSpider Link | 28506216 |
| ChEMBL Link | - |
