| General Property |
| Molceule ID (DB) | EGIN0000488 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | 3-[(4-fluorophenyl)methyl]-3-[(2-hydroxy-3-methylphenyl)methyl]-1-phenylthiourea |
| Formula | C22H21FN2OS |
| Mass | 380.478 |
| Exact Mass | 380.1358622 |
| Composition | C (69.45%), H (5.56%), F (4.99%), N (7.36%), O (4.21%), S (8.43%) |
| Atom Count | 48 |
| PI | 3.04 |
| Smiles | c1(cccc(c1O)C)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)F |
| InChI | 1S/C22H21FN2OS/c1-16-6-5-7-18(21(16)26)15-25(14-17-10-12-19(23)13-11-17)22(27)24-20-8-3-2-4-9-20/h2-
13,26H,14-15H2,1H3,(H,24,27) |
| InChIKey | AQOVRLPHUSWQJQ-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 | 24643606 |
| ChEMBL Link | CHEMBL589801 |
