| General Property |
| Molceule ID (DB) | EGIN0001939 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 42 compound |
| IUPAC Name | N-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-3-ethynyl-6,7-dimethoxyquinolin-4-amine |
| Formula | C22H19BrN2O2 |
| Mass | 423.302 |
| Exact Mass | 422.0629905 |
| Composition | C (62.42%), H (4.52%), Br (18.88%), N (6.62%), O (7.56%) |
| Atom Count | 46 |
| PI | No isoelectric point. |
| Smiles | c12cc(c(cc1ncc(c2N[C@@H]1[C@H](C1)c1cc(ccc1)Br)C#C)OC)OC |
| InChI | 1S/C22H19BrN2O2/c1-4-13-12-24-18-11-21(27-3)20(26-2)10-17(18)22(13)25-19-9-16(19)14-6-5-7-15(23)8-14
/h1,5-8,10-12,16,19H,9H2,2-3H3,(H,24,25)/t16-,19+/m1/s1 |
| InChIKey | SFZDQTPKKCDELE-APWZRJJASA-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 | - |
