General Property |
Molceule ID (DB) | EGIN0002957 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 3j |
IUPAC Name | 4-(4-hydroxy-1,3-benzothiazol-2-yl)benzene-1,2-diol |
Formula | C13H9NO3S |
Mass | 259.28 |
Exact Mass | 259.0303138 |
Composition | C (60.22%), H (3.5%), N (5.4%), O (18.51%), S (12.37%) |
Atom Count | 27 |
PI | 4.66 |
Smiles | c1(cccc2c1nc(s2)c1ccc(c(c1)O)O)O |
InChI | 1S/C13H9NO3S/c15-8-5-4-7(6-10(8)17)13-14-12-9(16)2-1-3-11(12)18-13/h1-6,15-17H |
InChIKey | GJSKHWXLHZUEGI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002957.png) | Structure Backbone | ![](./frame/f_EGIN0002957.png) |
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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 | 8201603 |
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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |