| General Property |
| Molceule ID (DB) | EGIN0002254 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-2-fluorophenyl]-7-chloroquinazolin-4-amine |
| Formula | C21H12ClFN4S |
| Mass | 406.863 |
| Exact Mass | 406.045523 |
| Composition | C (61.99%), H (2.97%), Cl (8.71%), F (4.67%), N (13.77%), S (7.88%) |
| Atom Count | 40 |
| PI | 7.95 |
| Smiles | c1(c(ccc(c1)c1nc2c(s1)cccc2)Nc1ncnc2c1ccc(c2)Cl)F |
| InChI | 1S/C21H12ClFN4S/c22-13-6-7-14-18(10-13)24-11-25-20(14)26-16-8-5-12(9-15(16)23)21-27-17-3-1-2-4-19(17
)28-21/h1-11H,(H,24,25,26) |
| InChIKey | RKGNVOKYSGKVQZ-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 | InsR | EphB4 | TIE2 | IGF1R | Aurora B | Src | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23335980 |
| ChEMBL Link | CHEMBL473557 |
