| General Property |
| Molceule ID (DB) | EGIN0002234 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | 4-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,4-diamine |
| Formula | C22H18N6S |
| Mass | 398.484 |
| Exact Mass | 398.1313653 |
| Composition | C (66.31%), H (4.55%), N (21.09%), S (8.05%) |
| Atom Count | 47 |
| PI | 10.42 |
| Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ccnc(c1)Nc1cc([nH]n1)C |
| InChI | 1S/C22H18N6S/c1-14-12-21(28-27-14)26-20-13-17(10-11-23-20)24-16-8-6-15(7-9-16)22-25-18-4-2-3-5-19(18
)29-22/h2-13H,1H3,(H3,23,24,26,27,28) |
| InChIKey | MVXAWROAJALYHX-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 | 19211246 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | InsR | VEGFR2 | Aurora A | Aurora B | VEGFR3 | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23335762 |
| ChEMBL Link | CHEMBL461991 |
