| General Property |
| Molceule ID (DB) | EGIN0001936 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 39 compound |
| IUPAC Name | 3-ethynyl-6,7-dimethoxy-N-[(1S,2R)-2-(4-phenoxyphenyl)cyclopropyl]quinolin-4-amine |
| Formula | C28H24N2O3 |
| Mass | 436.5018 |
| Exact Mass | 436.1786926 |
| Composition | C (77.04%), H (5.54%), N (6.42%), O (11%) |
| Atom Count | 57 |
| PI | No isoelectric point. |
| Smiles | c12cc(c(cc1ncc(c2N[C@@H]1[C@H](C1)c1ccc(cc1)Oc1ccccc1)C#C)OC)OC |
| InChI | 1S/C28H24N2O3/c1-4-18-17-29-24-16-27(32-3)26(31-2)15-23(24)28(18)30-25-14-22(25)19-10-12-21(13-11-19
)33-20-8-6-5-7-9-20/h1,5-13,15-17,22,25H,14H2,2-3H3,(H,29,30)/t22-,25+/m1/s1 |
| InChIKey | ILYORDJGLXPANG-RDGATRHJSA-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 | 17827009 |
| 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 |
23243584
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
