| General Property |
| Molceule ID (DB) | EGIN0003120 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1E)-4-(4-methylpiperazin-1-yl)but-1-en-1-yl]quinoline-3-carbonitrile |
| Formula | C27H29Cl2N5O2 |
| Mass | 526.457 |
| Exact Mass | 525.1698306 |
| Composition | C (61.6%), H (5.55%), Cl (13.47%), N (13.3%), O (6.08%) |
| Atom Count | 65 |
| PI | 12.06 |
| Smiles | C(#N)c1cnc2cc(/C=C/CCN3CCN(CC3)C)c(cc2c1Nc1cc(c(cc1Cl)Cl)OC)OC |
| InChI | 1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-
15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ |
| InChIKey | XTMQXGYZVJVLMD-GQCTYLIASA-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 | 20363128 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24666923 |
| ChEMBL Link | CHEMBL1088240 |
