| General Property |
| Molceule ID (DB) | EGIN0000496 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 11b compound |
| IUPAC Name | 3-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea |
| Formula | C21H18Br2N2O2S |
| Mass | 522.253 |
| Exact Mass | 519.9455738 |
| Composition | C (48.3%), H (3.47%), Br (30.6%), N (5.36%), O (6.13%), S (6.14%) |
| Atom Count | 46 |
| PI | 2.19 |
| Smiles | c1(cc(cc(c1O)Br)Br)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O |
| InChI | 1S/C21H18Br2N2O2S/c22-16-10-15(20(27)19(23)11-16)13-25(12-14-6-8-18(26)9-7-14)21(28)24-17-4-2-1-3-5-
17/h1-11,26-27H,12-13H2,(H,24,28) |
| InChIKey | ZJEZFXHLOYIZAT-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24643980 |
| ChEMBL Link | CHEMBL592004 |
