| General Property |
| Molceule ID (DB) | EGIN0002240 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 2-N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine |
| Formula | C22H19N7OS |
| Mass | 429.498 |
| Exact Mass | 429.137179 |
| Composition | C (61.52%), H (4.46%), N (22.83%), O (3.73%), S (7.47%) |
| Atom Count | 50 |
| PI | 8.39 |
| Smiles | c1c(ccc(c1OC)c1nc2c(s1)cccc2)Nc1nccc(n1)Nc1cc([nH]n1)C |
| InChI | 1S/C22H19N7OS/c1-13-11-20(29-28-13)26-19-9-10-23-22(27-19)24-14-7-8-15(17(12-14)30-2)21-25-16-5-3-4-
6-18(16)31-21/h3-12H,1-2H3,(H3,23,24,26,27,28,29) |
| InChIKey | HSMLVQPVLGLUCI-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 | VEGFR3 | Aurora B | Aurora A | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23335819 |
| ChEMBL Link | CHEMBL461110 |
