General Property |
Molceule ID (DB) | EGIN0002727 |
Inhibitor Class | Acrylo-phenone |
Molecule Name in Refrence Article | 13 compound |
IUPAC Name | ethyl 1-{3-[4-(benzyloxy)phenyl]-3-oxopropyl}piperidine-4-carboxylate |
Formula | C24H29NO4 |
Mass | 395.4914 |
Exact Mass | 395.2096584 |
Composition | C (72.89%), H (7.39%), N (3.54%), O (16.18%) |
Atom Count | 58 |
PI | 11.67 |
Smiles | c1cc(ccc1C(=O)CCN1CC[C@H](CC1)C(=O)OCC)OCc1ccccc1 |
InChI | 1S/C24H29NO4/c1-2-28-24(27)21-12-15-25(16-13-21)17-14-23(26)20-8-10-22(11-9-20)29-18-19-6-4-3-5-7-19
/h3-11,21H,2,12-18H2,1H3 |
InChIKey | GSXUGPBBKGBXEF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002727.png) | Structure Backbone | ![](./frame/f_EGIN0002727.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 | 7608909 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | c-Src | v-ab1 | PKC | ALL |
Pub Chem Link |
10430804
|
Drug Bank Link | - |
ChemSpider Link | 8606231 |
ChEMBL Link | CHEMBL1191751 |