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 | ![](./image/EGIN0001936.png) | Structure Backbone | ![](./frame/f_EGIN0001936.png) |
|
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 | - |