| General Property |
| Molceule ID (DB) | EGIN0003368 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7j compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-[bis(propan-2-yl)amino]but-2-enamide |
| Formula | C35H38ClN5O3 |
| Mass | 612.161 |
| Exact Mass | 611.2663178 |
| Composition | C (68.67%), H (6.26%), Cl (5.79%), N (11.44%), O (7.84%) |
| Atom Count | 82 |
| PI | 11.21 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C(C)C)C(C)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C35H38ClN5O3/c1-6-43-33-19-30-28(18-31(33)40-34(42)13-10-16-41(23(2)3)24(4)5)35(26(20-37)21-38-30
)39-27-14-15-32(29(36)17-27)44-22-25-11-8-7-9-12-25/h7-15,17-19,21,23-24H,6,16,22H2,1-5H3,(H,38,39)(
H,40,42)/b13-10+ |
| InChIKey | YJDWLSMDQCVYOQ-JLHYYAGUSA-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 |
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|
| Drug Bank Link | - |
| ChemSpider Link | 9332902 |
| ChEMBL Link | CHEMBL179052 |
