| General Property |
| Molceule ID (DB) | EGIN0000865 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 6,7-dimethoxy-4-{[3-(methylsulfanyl)phenyl]amino}quinoline-3-carbonitrile |
| Formula | C19H17N3O2S |
| Mass | 351.422 |
| Exact Mass | 351.1041475 |
| Composition | C (64.94%), H (4.88%), N (11.96%), O (9.11%), S (9.12%) |
| Atom Count | 42 |
| PI | 10.83 |
| Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)SC)C#N |
| InChI | 1S/C19H17N3O2S/c1-23-17-8-15-16(9-18(17)24-2)21-11-12(10-20)19(15)22-13-5-4-6-14(7-13)25-3/h4-9,11H,
1-3H3,(H,21,22) |
| InChIKey | ZSJDOQUXSFYFRM-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 | 10966743 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
5328860
|
| Drug Bank Link | - |
| ChemSpider Link | 4486022 |
| ChEMBL Link | CHEMBL114496 |
