General Property |
Molceule ID (DB) | EGIN0002728 |
Inhibitor Class | Acrylo-phenone |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | 1-[4-(benzyloxy)-3-hydroxyphenyl]-4-(dimethylamino)butan-1-one; ethane |
Formula | C21H29NO3 |
Mass | 343.4599 |
Exact Mass | 343.2147438 |
Composition | C (73.44%), H (8.51%), N (4.08%), O (13.97%) |
Atom Count | 54 |
PI | 9.1 |
Smiles | CN(C)CCCC(=O)c1cc(O)c(OCc2ccccc2)cc1.CC |
InChI | 1S/C19H23NO3.C2H6/c1-20(2)12-6-9-17(21)16-10-11-19(18(22)13-16)23-14-15-7-4-3-5-8-15;1-2/h3-5,7-8,10
-11,13,22H,6,9,12,14H2,1-2H3;1-2H3 |
InChIKey | WHYDYSCXVUWXDR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002728.png) | Structure Backbone | ![](./frame/f_EGIN0002728.png) |
|
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 | 7608909 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | v-ab1 | c-Src | PKC | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 6084 |
ChEMBL Link | CHEMBL1194560 |