General Property |
Molceule ID (DB) | EGIN0002734 |
Inhibitor Class | Acrylo-phenone |
Molecule Name in Refrence Article | 20 compound |
IUPAC Name | {[(2R)-3-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]-3-oxopropyl]amino}urea |
Formula | C20H26N4O3 |
Mass | 370.4454 |
Exact Mass | 370.2004907 |
Composition | C (64.84%), H (7.07%), N (15.12%), O (12.96%) |
Atom Count | 53 |
PI | 10.17 |
Smiles | CN(C)C[C@H](CNNC(=O)N)C(=O)c1ccc(OCc2ccccc2)cc1 |
InChI | 1S/C20H26N4O3/c1-24(2)13-17(12-22-23-20(21)26)19(25)16-8-10-18(11-9-16)27-14-15-6-4-3-5-7-15/h3-11,1
7,22H,12-14H2,1-2H3,(H3,21,23,26)/t17-/m0/s1 |
InChIKey | PAMFLGPSTJPJQG-KRWDZBQOSA-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 | v-ab1 | PKC | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 9901359 |
ChEMBL Link | CHEMBL1190636 |