| General Property |
| Molceule ID (DB) | EGIN0000489 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 4b compound |
| IUPAC Name | 3-[(3,5-dichloro-2-hydroxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-phenylthiourea |
| Formula | C21H17Cl2FN2OS |
| Mass | 435.342 |
| Exact Mass | 434.0422675 |
| Composition | C (57.94%), H (3.94%), Cl (16.29%), F (4.36%), N (6.43%), O (3.68%), S (7.37%) |
| Atom Count | 45 |
| PI | 2.06 |
| Smiles | c1(cc(cc(c1O)Cl)Cl)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)F |
| InChI | 1S/C21H17Cl2FN2OS/c22-16-10-15(20(27)19(23)11-16)13-26(12-14-6-8-17(24)9-7-14)21(28)25-18-4-2-1-3-5-
18/h1-11,27H,12-13H2,(H,25,28) |
| InChIKey | QSDHRATYXWRXIW-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 | 24644614 |
| ChEMBL Link | CHEMBL592200 |
