General Property |
Molceule ID (DB) | EGIN0004737 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 18 |
IUPAC Name | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)prop-2-enamide |
Formula | C27H22ClN5O3 |
Mass | 499.948 |
Exact Mass | 499.1411173 |
Composition | C (64.86%), H (4.44%), Cl (7.09%), N (14.01%), O (9.6%) |
Atom Count | 58 |
PI | 8.43 |
Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)OCc1ccccn1)OCC)NC(=O)C=C |
InChI | 1S/C27H22ClN5O3/c1-3-26(34)33-23-12-20-22(13-25(23)35-4-2)31-15-17(14-29)27(20)32-18-8-9-24(21(28)11
-18)36-16-19-7-5-6-10-30-19/h3,5-13,15H,1,4,16H2,2H3,(H,31,32)(H,33,34) |
InChIKey | QWGBPZPZQJJAMU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004737.png) | Structure Backbone | ![](./frame/f_EGIN0004737.png) |
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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 | 28530698 |
ChEMBL Link | - |