| General Property |
| Molceule ID (DB) | EGIN0003193 |
| Inhibitor Class | Benzo-phenone |
| Molecule Name in Refrence Article | 10b compound |
| IUPAC Name | N-(4-{[5-(3-amino-3-methylbut-1-yn-1-yl)-2-methoxyphenyl]carbonyl}phenyl)-2,4-difluoroaniline |
| Formula | C25H22F2N2O2 |
| Mass | 420.4512 |
| Exact Mass | 420.1649344 |
| Composition | C (71.42%), H (5.27%), F (9.04%), N (6.66%), O (7.61%) |
| Atom Count | 53 |
| PI | 12.95 |
| Smiles | c1c(ccc(c1)Nc1c(cc(cc1)F)F)C(=O)c1cc(ccc1OC)C#CC(C)(C)N |
| InChI | 1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15
-21(22)27/h4-11,14-15,29H,28H2,1-3H3 |
| InChIKey | RCXVRYYLBZGIFP-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 | 15177483 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | JNK2 | c-Met | p38 alpha | TNF alpha | ALL |
| Pub Chem Link |
10295633
|
| Drug Bank Link | - |
| ChemSpider Link | 8471101 |
| ChEMBL Link | CHEMBL419409 |
