General Property |
Molceule ID (DB) | EGIN0002726 |
Inhibitor Class | Acrylo-phenone |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 1-[4-(benzyloxy)phenyl]-3-(morpholin-4-yl)propan-1-one |
Formula | C20H23NO3 |
Mass | 325.4015 |
Exact Mass | 325.1677936 |
Composition | C (73.82%), H (7.12%), N (4.3%), O (14.75%) |
Atom Count | 47 |
PI | 11.02 |
Smiles | O=C(CCN1CCOCC1)c1ccc(OCc2ccccc2)cc1 |
InChI | 1S/C20H23NO3/c22-20(10-11-21-12-14-23-15-13-21)18-6-8-19(9-7-18)24-16-17-4-2-1-3-5-17/h1-9H,10-16H2 |
InChIKey | QSTDXROSWSUWIL-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | ALL |
Pub Chem Link |
2807058
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Drug Bank Link | - |
ChemSpider Link | 2085522 |
ChEMBL Link | CHEMBL1191752 |