General Property |
Molceule ID (DB) | EGIN0002730 |
Inhibitor Class | Acrylo-phenone |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | (2S)-3-[(2-aminoethyl)sulfanyl]-1-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]propan-1-one |
Formula | C21H28N2O2S |
Mass | 372.524 |
Exact Mass | 372.1871488 |
Composition | C (67.71%), H (7.58%), N (7.52%), O (8.59%), S (8.61%) |
Atom Count | 54 |
PI | 12.52 |
Smiles | CN(C)C[C@H](CSCCN)C(=O)c1ccc(OCc2ccccc2)cc1 |
InChI | 1S/C21H28N2O2S/c1-23(2)14-19(16-26-13-12-22)21(24)18-8-10-20(11-9-18)25-15-17-6-4-3-5-7-17/h3-11,19H
,12-16,22H2,1-2H3/t19-/m1/s1 |
InChIKey | KYKIJIXHKSKLSD-LJQANCHMSA-N |
2D Structure | ![](./image/EGIN0002730.png) | Structure Backbone | ![](./frame/f_EGIN0002730.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 |
10694789
|
Drug Bank Link | - |
ChemSpider Link | 8197758 |
ChEMBL Link | CHEMBL1192172 |