General Property |
Molceule ID (DB) | EGIN0002952 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 3e |
IUPAC Name | 2-(4-hydroxyphenyl)-1,3-benzothiazole-4,5-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 | 4.8 |
Smiles | c1(c(ccc2c1nc(s2)c1ccc(cc1)O)O)O |
InChI | 1S/C13H9NO3S/c15-8-3-1-7(2-4-8)13-14-11-10(18-13)6-5-9(16)12(11)17/h1-6,15-17H |
InChIKey | KWPOCAOTBVYEME-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 | 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 | - |