General Property |
Molceule ID (DB) | EGIN0001495 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | HB2c |
IUPAC Name | 5,6-difluoro-2-(4-methylphenyl)-1,3-benzothiazole |
Formula | C14H9F2NS |
Mass | 261.29 |
Exact Mass | 261.0423764 |
Composition | C (64.35%), H (3.47%), F (14.54%), N (5.36%), S (12.27%) |
Atom Count | 27 |
PI | No isoelectric point. |
Smiles | c1cc(ccc1c1nc2c(s1)cc(c(c2)F)F)C |
InChI | 1S/C14H9F2NS/c1-8-2-4-9(5-3-8)14-17-12-6-10(15)11(16)7-13(12)18-14/h2-7H,1H3 |
InChIKey | MHDXXQUSOZEAPH-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 | 20493747 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |