| General Property |
| Molceule ID (DB) | EGIN0001917 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 6,7-dimethoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile |
| Formula | C21H19N3O2 |
| Mass | 345.3945 |
| Exact Mass | 345.1477269 |
| Composition | C (73.03%), H (5.54%), N (12.17%), O (9.26%) |
| Atom Count | 45 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)N[C@@H]1C[C@H]1c1ccccc1)OC)OC |
| InChI | 1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7
,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1 |
| InChIKey | VTTRFTSEAVQHSR-MAUKXSAKSA-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 | Flt1 | KDR | SYK | ABL | ALL |
| Pub Chem Link |
44442729
|
| Drug Bank Link | - |
| ChemSpider Link | 23307326 |
| ChEMBL Link | CHEMBL248044 |
