| General Property |
| Molceule ID (DB) | EGIN0001940 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 43 compound |
| IUPAC Name | 3-ethynyl-N-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-6,7-dimethoxyquinolin-4-amine |
| Formula | C22H19FN2O2 |
| Mass | 362.3969 |
| Exact Mass | 362.1430561 |
| Composition | C (72.91%), H (5.28%), F (5.24%), N (7.73%), O (8.83%) |
| Atom Count | 46 |
| PI | No isoelectric point. |
| Smiles | c12cc(c(cc1ncc(c2N[C@@H]1[C@H](C1)c1c(cccc1)F)C#C)OC)OC |
| InChI | 1S/C22H19FN2O2/c1-4-13-12-24-18-11-21(27-3)20(26-2)10-16(18)22(13)25-19-9-15(19)14-7-5-6-8-17(14)23/
h1,5-8,10-12,15,19H,9H2,2-3H3,(H,24,25)/t15-,19+/m1/s1 |
| InChIKey | BXSODJPDIIXZIF-BEFAXECRSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
