| General Property |
| Molceule ID (DB) | EGIN0004713 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 21 |
| IUPAC Name | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-(morpholin-4-yl)propanamide |
| Formula | C31H31ClN6O4 |
| Mass | 587.069 |
| Exact Mass | 586.2095312 |
| Composition | C (63.42%), H (5.32%), Cl (6.04%), N (14.32%), O (10.9%) |
| Atom Count | 73 |
| PI | 9.59 |
| Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)OCc1ccccn1)OCC)NC(=O)CCN1CCOCC1 |
| InChI | 1S/C31H31ClN6O4/c1-2-41-29-17-26-24(16-27(29)37-30(39)8-10-38-11-13-40-14-12-38)31(21(18-33)19-35-26
)36-22-6-7-28(25(32)15-22)42-20-23-5-3-4-9-34-23/h3-7,9,15-17,19H,2,8,10-14,20H2,1H3,(H,35,36)(H,37,
39) |
| InChIKey | CYRAGAWSGXXYDS-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 |
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|
| Drug Bank Link | - |
| ChemSpider Link | 28506584 |
| ChEMBL Link | - |
