| General Property |
| Molceule ID (DB) | EGIN0000493 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 8b compound |
| IUPAC Name | 3-[(3-bromo-2-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea |
| Formula | C21H19BrN2O2S |
| Mass | 443.357 |
| Exact Mass | 442.0350612 |
| Composition | C (56.89%), H (4.32%), Br (18.02%), N (6.32%), O (7.22%), S (7.23%) |
| Atom Count | 46 |
| PI | 2.41 |
| Smiles | c1(cccc(c1O)Br)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O |
| InChI | 1S/C21H19BrN2O2S/c22-19-8-4-5-16(20(19)26)14-24(13-15-9-11-18(25)12-10-15)21(27)23-17-6-2-1-3-7-17/h
1-12,25-26H,13-14H2,(H,23,27) |
| InChIKey | SOXYLYNQTNNXEV-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 | 24652481 |
| ChEMBL Link | CHEMBL604042 |
