| General Property |
| Molceule ID (DB) | EGIN0003123 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | (R)-3 compound |
| IUPAC Name | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}prop-2-enamide |
| Formula | C20H15Cl2FN2O2 |
| Mass | 405.25 |
| Exact Mass | 404.0494614 |
| Composition | C (59.28%), H (3.73%), Cl (17.5%), F (4.69%), N (6.91%), O (7.9%) |
| Atom Count | 42 |
| PI | 10.04 |
| Smiles | c12ncc(cc1cc(cc2)O[C@@H](c1c(ccc(c1Cl)F)Cl)C)/C=C/C(=O)N |
| InChI | 1S/C20H15Cl2FN2O2/c1-11(19-15(21)4-5-16(23)20(19)22)27-14-3-6-17-13(9-14)8-12(10-25-17)2-7-18(24)26/
h2-11H,1H3,(H2,24,26)/b7-2+/t11-/m1/s1 |
| InChIKey | OIOZTIQUNWLFQV-HVUAZKLTSA-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 | 20093027 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | cdk1 | cdk2 | EGFR | IGF1R | InsR | Kit | PDGFR | PKA | PKC alpha | PKC beta1 | PKC beta2 | Abl | KDR | lck | LTK | c-Met | YES | Fyn | BRK | Flt3 | SRC | EphA2 | RON | AXL | Aurora A | FGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24652416 |
| ChEMBL Link | CHEMBL602471 |
