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 | ![](./image/EGIN0000472.png) | Structure Backbone | ![](./frame/f_EGIN0000472.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 | 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 |
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Drug Bank Link | - |
ChemSpider Link | 24651822 |
ChEMBL Link | CHEMBL603186 |