| General Property |
| Molceule ID (DB) | EGIN0003436 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{5-[(4-methylpiperazin-1-yl)methyl]furan-3-yl}quinoline-3-carbonitrile |
| Formula | C28H27Cl2N5O3 |
| Mass | 552.452 |
| Exact Mass | 551.1490952 |
| Composition | C (60.87%), H (4.93%), Cl (12.83%), N (12.68%), O (8.69%) |
| Atom Count | 65 |
| PI | 11.67 |
| Smiles | n1cc(c(c2c1cc(c(c2)OC)c1cc(oc1)CN1CCN(CC1)C)Nc1cc(c(cc1Cl)Cl)OC)C#N |
| InChI | 1S/C28H27Cl2N5O3/c1-34-4-6-35(7-5-34)15-19-8-17(16-38-19)20-9-24-21(10-26(20)36-2)28(18(13-31)14-32-
24)33-25-12-27(37-3)23(30)11-22(25)29/h8-12,14,16H,4-7,15H2,1-3H3,(H,32,33) |
| InChIKey | ANUHLKPVOXDYSK-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 | 17181170 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT | KDR | PDK1 | Abl | Src | ALL |
| Pub Chem Link |
11341869
|
| Drug Bank Link | - |
| ChemSpider Link | 9516811 |
| ChEMBL Link | CHEMBL219557 |
