| General Property |
| Molceule ID (DB) | EGIN0001924 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | 6-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-7-[3-(pyridin-3-yl)propoxy]quinoline-3-carbonitrile |
| Formula | C28H26N4O2 |
| Mass | 450.5316 |
| Exact Mass | 450.2055761 |
| Composition | C (74.65%), H (5.82%), N (12.44%), O (7.1%) |
| Atom Count | 60 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)N[C@@H]1C[C@H]1c1ccccc1)OCCCc1cccnc1)OC |
| InChI | 1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-
22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1 |
| InChIKey | NDZOHKAXFDFNIC-WIOPSUGQSA-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 | SRC | KDR | SYK | ABL | Flt-1 | ALL |
| Pub Chem Link |
44442736
|
| Drug Bank Link | - |
| ChemSpider Link | 23307333 |
| ChEMBL Link | CHEMBL248391 |
