General Property |
Molceule ID (DB) | EGIN0002724 |
Inhibitor Class | Acrylo-phenone |
Molecule Name in Refrence Article | 10 compound |
IUPAC Name | 1-[4-(benzyloxy)phenyl]-3-(dimethylamino)propan-1-one |
Formula | C18H21NO2 |
Mass | 283.3648 |
Exact Mass | 283.1572289 |
Composition | C (76.29%), H (7.47%), N (4.94%), O (11.29%) |
Atom Count | 42 |
PI | 12.09 |
Smiles | CN(C)CCC(=O)c1ccc(OCc2ccccc2)cc1 |
InChI | 1S/C18H21NO2/c1-19(2)13-12-18(20)16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3 |
InChIKey | YILRQOFYISHQCQ-UHFFFAOYSA-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 | 7608909 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | c-Src | PKC | v-ab1 | ALL |
Pub Chem Link |
3039851
|
Drug Bank Link | - |
ChemSpider Link | 2303301 |
ChEMBL Link | CHEMBL1193376 |