| General Property |
| Molceule ID (DB) | EGIN0002239 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | 2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine |
| Formula | C21H17N7S |
| Mass | 399.472 |
| Exact Mass | 399.1266143 |
| Composition | C (63.14%), H (4.29%), N (24.54%), S (8.03%) |
| Atom Count | 46 |
| PI | 8.46 |
| Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1nccc(n1)Nc1cc([nH]n1)C |
| InChI | 1S/C21H17N7S/c1-13-12-19(28-27-13)25-18-10-11-22-21(26-18)23-15-8-6-14(7-9-15)20-24-16-4-2-3-5-17(16
)29-20/h2-12H,1H3,(H3,22,23,25,26,27,28) |
| InChIKey | KOFCLQKGQYBGNB-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 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23335818 |
| ChEMBL Link | CHEMBL461109 |
