| General Property |
| Molceule ID (DB) | EGIN0003160 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-yn-1-yl]quinoline-3-carbonitrile |
| Formula | C27H27Cl2N5O2 |
| Mass | 524.442 |
| Exact Mass | 523.1541805 |
| Composition | C (61.84%), H (5.19%), Cl (13.52%), N (13.35%), O (6.1%) |
| Atom Count | 63 |
| PI | 11.83 |
| Smiles | N1(CCN(CC1)C)CCC#Cc1c(cc2c(c1)ncc(c2Nc1cc(c(cc1Cl)Cl)OC)C#N)OC |
| InChI | 1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,31,32) |
| InChIKey | ZJDFSJYCAFMEGH-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 | 17188862 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT | CDK4 | IGFR | KDR | PDK1 | Src | ALL |
| Pub Chem Link |
11656591
|
| Drug Bank Link | - |
| ChemSpider Link | 9831329 |
| ChEMBL Link | CHEMBL391738 |
