| General Property |
| Molceule ID (DB) | EGIN0001933 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | 4-{[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile |
| Formula | C21H18ClN3O2 |
| Mass | 379.84 |
| Exact Mass | 379.1087545 |
| Composition | C (66.4%), H (4.78%), Cl (9.33%), N (11.06%), O (8.42%) |
| Atom Count | 45 |
| PI | No isoelectric point. |
| Smiles | c12cc(c(cc1ncc(c2N[C@@H]1C[C@H]1c1ccc(cc1)Cl)C#N)OC)OC |
| InChI | InChI=1S/C21H18ClN3O2/c1-26-19-8-16-17(9-20(19)27-2)24-11-13(10-23)21(16)25-18-7-15(18)12-3-5-14(22)
6-4-12/h3-6,8-9,11,15,18H,7H2,1-2H3,(H,24,25)/t15-,18+/m0/s1 |
| InChIKey | InChIKey=IPDLNCUZTMJSII-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 | No activity data against other kinases present in database |
| Pub Chem Link |
44442747
|
| Drug Bank Link | - |
| ChemSpider Link | 23307345 |
| ChEMBL Link | CHEMBL247196 |
