| General Property |
| Molceule ID (DB) | EGIN0003207 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 15g compound |
| IUPAC Name | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile |
| Formula | C28H24Cl2N4O2 |
| Mass | 519.422 |
| Exact Mass | 518.1276314 |
| Composition | C (64.74%), H (4.66%), Cl (13.65%), N (10.79%), O (6.16%) |
| Atom Count | 60 |
| PI | 11.2 |
| Smiles | c1(Nc2cc(c(cc2Cl)Cl)OC)c2c(ncc1C#N)cc(c1ccc(CN3CCOCC3)cc1)cc2 |
| InChI | 1S/C28H24Cl2N4O2/c1-35-27-14-26(23(29)13-24(27)30)33-28-21(15-31)16-32-25-12-20(6-7-22(25)28)19-4-2-
18(3-5-19)17-34-8-10-36-11-9-34/h2-7,12-14,16H,8-11,17H2,1H3,(H,32,33) |
| InChIKey | QHESHAOBGKRAPW-UHFFFAOYSA-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 | 12270190 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | MEK | Src | ALL |
| Pub Chem Link |
5330453
|
| Drug Bank Link | - |
| ChemSpider Link | 4487604 |
| ChEMBL Link | CHEMBL322395 |
