| General Property |
| Molceule ID (DB) | EGIN0001921 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 7-methoxy-6-[2-(morpholin-4-yl)ethoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile |
| Formula | C26H28N4O3 |
| Mass | 444.5255 |
| Exact Mass | 444.2161408 |
| Composition | C (70.25%), H (6.35%), N (12.6%), O (10.8%) |
| Atom Count | 61 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)N[C@@H]1C[C@H]1c1ccccc1)OC)OCc1ccccc1 |
| InChI | 1S/C26H28N4O3/c1-31-24-15-22-21(14-25(24)33-12-9-30-7-10-32-11-8-30)26(19(16-27)17-28-22)29-23-13-20
(23)18-5-3-2-4-6-18/h2-6,14-15,17,20,23H,7-13H2,1H3,(H,28,29)/t20-,23+/m0/s1 |
| InChIKey | SIMNHPGTUXYIRW-NZQKXSOJSA-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 | ABL | SYK | Flt-1 | SRC | KDR | ALL |
| Pub Chem Link |
44442733
|
| Drug Bank Link | - |
| ChemSpider Link | 23307329 |
| ChEMBL Link | CHEMBL401054 |
