| General Property |
| Molceule ID (DB) | EGIN0000486 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 1b compound |
| IUPAC Name | 3-[(3-chloro-2-hydroxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-phenylthiourea |
| Formula | C21H18ClFN2OS |
| Mass | 400.897 |
| Exact Mass | 400.0812398 |
| Composition | C (62.92%), H (4.53%), Cl (8.84%), F (4.74%), N (6.99%), O (3.99%), S (8%) |
| Atom Count | 45 |
| PI | 2.34 |
| Smiles | c1(cccc(c1O)Cl)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)F |
| InChI | 1S/C21H18ClFN2OS/c22-19-8-4-5-16(20(19)26)14-25(13-15-9-11-17(23)12-10-15)21(27)24-18-6-2-1-3-7-18/h
1-12,26H,13-14H2,(H,24,27) |
| InChIKey | UERCBPIXITWGQE-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 | 24643595 |
| ChEMBL Link | CHEMBL589560 |
