| General Property |
| Molceule ID (DB) | EGIN0000497 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 12b compound |
| IUPAC Name | 3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea |
| Formula | C23H24N2O2S |
| Mass | 392.514 |
| Exact Mass | 392.1558487 |
| Composition | C (70.38%), H (6.16%), N (7.14%), O (8.15%), S (8.17%) |
| Atom Count | 52 |
| PI | 2.97 |
| Smiles | c1(cc(cc(c1O)C)C)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O |
| InChI | 1S/C23H24N2O2S/c1-16-12-17(2)22(27)19(13-16)15-25(14-18-8-10-21(26)11-9-18)23(28)24-20-6-4-3-5-7-20/
h3-13,26-27H,14-15H2,1-2H3,(H,24,28) |
| InChIKey | ATUGWBRHDFGSKE-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 | 24644295 |
| ChEMBL Link | CHEMBL592247 |
