| General Property |
| Molceule ID (DB) | EGIN0003203 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 10a compound |
| IUPAC Name | 4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile |
| Formula | C28H29ClN6O3S |
| Mass | 565.086 |
| Exact Mass | 564.1710372 |
| Composition | C (59.51%), H (5.17%), Cl (6.27%), N (14.87%), O (8.49%), S (5.67%) |
| Atom Count | 68 |
| PI | 11.84 |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)Sc1nccn1C)OCCCN1CCOCC1)OC |
| InChI | 1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)1
5-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) |
| InChIKey | QSENMPAGYMUVDE-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 | 12941327 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | P-Akt | P-MAPK | P-MEK1 | P-TYR | ALL |
| Pub Chem Link |
10303277
|
| Drug Bank Link | - |
| ChemSpider Link | 8478743 |
| ChEMBL Link | CHEMBL318804 |
