| General Property |
| Molceule ID (DB) | EGIN0000494 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 9b compound |
| IUPAC Name | 3-[(2-hydroxy-3-methylphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea |
| Formula | C22H22N2O2S |
| Mass | 378.487 |
| Exact Mass | 378.1401986 |
| Composition | C (69.81%), H (5.86%), N (7.4%), O (8.45%), S (8.47%) |
| Atom Count | 49 |
| PI | 2.94 |
| Smiles | c1(cccc(c1O)C)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O |
| InChI | 1S/C22H22N2O2S/c1-16-6-5-7-18(21(16)26)15-24(14-17-10-12-20(25)13-11-17)22(27)23-19-8-3-2-4-9-19/h2-
13,25-26H,14-15H2,1H3,(H,23,27) |
| InChIKey | LCGCEYCAQPJEBN-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 | 24654646 |
| ChEMBL Link | CHEMBL604785 |
