| General Property |
| Molceule ID (DB) | EGIN0000472 |
| Inhibitor Class | Phenyl-urea |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | 3-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-phenylurea |
| Formula | C21H17Br2FN2O2 |
| Mass | 508.178 |
| Exact Mass | 505.9640813 |
| Composition | C (49.63%), H (3.37%), Br (31.45%), F (3.74%), N (5.51%), O (6.3%) |
| Atom Count | 45 |
| PI | 2 |
| Smiles | c1(cc(cc(c1O)Br)Br)CN(C(=O)Nc1ccccc1)Cc1ccc(cc1)F |
| InChI | 1S/C21H17Br2FN2O2/c22-16-10-15(20(27)19(23)11-16)13-26(12-14-6-8-17(24)9-7-14)21(28)25-18-4-2-1-3-5-
18/h1-11,27H,12-13H2,(H,25,28) |
| InChIKey | XCGWRJUUHHWCDA-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 | 19914837 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24651822 |
| ChEMBL Link | CHEMBL603186 |
