| General Property |
| Molceule ID (DB) | EGIN0002959 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 15b (diethylstilbestrol) |
| IUPAC Name | 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol |
| Formula | C18H20O2 |
| Mass | 268.3502 |
| Exact Mass | 268.1463299 |
| Composition | C (80.56%), H (7.51%), O (11.92%) |
| Atom Count | 40 |
| PI | No isoelectric point. |
| Smiles | CC/C(=C(/CC)c1ccc(O)cc1)/c1ccc(O)cc1 |
| InChI | InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
/b18-17+ |
| InChIKey | InChIKey=RGLYKWWBQGJZGM-ISLYRVAYSA-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 | 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 |
448537
|
| Drug Bank Link | DB00255--DB07932--DB08320 |
| ChemSpider Link | 395306 |
| ChEMBL Link | CHEMBL411 |
