| General Property |
| Molceule ID (DB) | EGIN0002238 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine |
| Formula | C22H22N6S |
| Mass | 402.515 |
| Exact Mass | 402.1626654 |
| Composition | C (65.65%), H (5.51%), N (20.88%), S (7.97%) |
| Atom Count | 51 |
| PI | 10.05 |
| Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1nccc(n1)N1CCN(CC1)C |
| InChI | 1S/C22H22N6S/c1-27-12-14-28(15-13-27)20-10-11-23-22(26-20)24-17-8-6-16(7-9-17)21-25-18-4-2-3-5-19(18
)29-21/h2-11H,12-15H2,1H3,(H,23,24,26) |
| InChIKey | LEIAHMPZLJHAET-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 | Aurora B | InsR | VEGFR2 | VEGFR3 | Aurora A | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23335766 |
| ChEMBL Link | CHEMBL459886 |
