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 | |
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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 |