General Property |
Molceule ID (DB) | EGIN0003319 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 25a compound |
IUPAC Name | (2E)-N-{4-[(3-chloro-4-phenoxyphenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
Formula | C30H28ClN5O3 |
Mass | 542.028 |
Exact Mass | 541.1880675 |
Composition | C (66.48%), H (5.21%), Cl (6.54%), N (12.92%), O (8.86%) |
Atom Count | 67 |
PI | 10.67 |
Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=CCN(C)C)OCC)Nc1cc(c(Oc2ccccc2)cc1)Cl |
InChI | 1S/C30H28ClN5O3/c1-4-38-28-17-25-23(16-26(28)35-29(37)11-8-14-36(2)3)30(20(18-32)19-33-25)34-21-12-1
3-27(24(31)15-21)39-22-9-6-5-7-10-22/h5-13,15-17,19H,4,14H2,1-3H3,(H,33,34)(H,35,37)/b11-8+ |
InChIKey | UASPTJWQFPYJIQ-DHZHZOJOSA-N |
2D Structure | ![](./image/EGIN0003319.png) | Structure Backbone | ![](./frame/f_EGIN0003319.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 | 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 |
11307255
|
Drug Bank Link | - |
ChemSpider Link | 9482231 |
ChEMBL Link | CHEMBL180018 |