General Property |
Molceule ID (DB) | EGIN0002956 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 3i |
IUPAC Name | 2-(4-hydroxyphenyl)-1,3-benzothiazol-6-ol |
Formula | C13H9NO2S |
Mass | 243.281 |
Exact Mass | 243.0353992 |
Composition | C (64.18%), H (3.73%), N (5.76%), O (13.15%), S (13.18%) |
Atom Count | 26 |
PI | 5.55 |
Smiles | c1(nc2c(s1)cc(cc2)O)c1ccc(cc1)O |
InChI | 1S/C13H9NO2S/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17-13/h1-7,15-16H |
InChIKey | UNCMKVXDLXKQDH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002956.png) | Structure Backbone | ![](./frame/f_EGIN0002956.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 | 11193043 |
ChEMBL Link | CHEMBL44227 |