| General Property |
| Molceule ID (DB) | EGIN0000501 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 16b compound |
| IUPAC Name | 3-butyl-3-[(3,5-dichloro-2-hydroxyphenyl)methyl]-1-phenylthiourea |
| Formula | C18H20Cl2N2OS |
| Mass | 383.335 |
| Exact Mass | 382.0673394 |
| Composition | C (56.4%), H (5.26%), Cl (18.5%), N (7.31%), O (4.17%), S (8.36%) |
| Atom Count | 44 |
| PI | 2.06 |
| Smiles | c1(cc(cc(c1O)Cl)Cl)CN(C(=S)Nc1ccccc1)CCCC |
| InChI | 1S/C18H20Cl2N2OS/c1-2-3-9-22(18(24)21-15-7-5-4-6-8-15)12-13-10-14(19)11-16(20)17(13)23/h4-8,10-11,23
H,2-3,9,12H2,1H3,(H,21,24) |
| InChIKey | HSYMTXUHTDJFRK-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 | 24644269 |
| ChEMBL Link | CHEMBL591440 |
