| General Property |
| Molceule ID (DB) | EGIN0002245 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)phenyl]-9H-purin-6-amine |
| Formula | C18H12N6S |
| Mass | 344.393 |
| Exact Mass | 344.0844151 |
| Composition | C (62.77%), H (3.51%), N (24.4%), S (9.31%) |
| Atom Count | 37 |
| PI | 7.37 |
| Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ncnc2c1nc[nH]2 |
| InChI | 1S/C18H12N6S/c1-2-4-14-13(3-1)24-18(25-14)11-5-7-12(8-6-11)23-17-15-16(20-9-19-15)21-10-22-17/h1-10H
,(H2,19,20,21,22,23) |
| InChIKey | VANNKDNVAYXPGI-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 A | Aurora B | IGF1R | InsR | Src | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23335871 |
| ChEMBL Link | CHEMBL515598 |
