General Property |
Molceule ID (DB) | EGIN0002948 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 3a |
IUPAC Name | 4-(1,3-benzothiazol-2-yl)phenol |
Formula | C13H9NOS |
Mass | 227.282 |
Exact Mass | 227.0404846 |
Composition | C (68.7%), H (3.99%), N (6.16%), O (7.04%), S (14.11%) |
Atom Count | 25 |
PI | 5.66 |
Smiles | c1cccc2c1nc(s2)c1ccc(cc1)O |
InChI | 1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H |
InChIKey | ODMDLCWSMSFWCW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002948.png) | Structure Backbone | ![](./frame/f_EGIN0002948.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 | 10181819 |
ChEMBL Link | CHEMBL47875 |