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 | ![](./image/EGIN0002959.png) | Structure Backbone | ![](./frame/f_EGIN0002959.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 |
448537
|
Drug Bank Link | DB00255--DB07932--DB08320 |
ChemSpider Link | 395306 |
ChEMBL Link | CHEMBL411 |