| General Property |
| Molceule ID (DB) | EGIN0000499 |
| Inhibitor Class | Thiourea |
| Molecule Name in Refrence Article | 14b compound |
| IUPAC Name | 3-[(3-bromo-2-hydroxyphenyl)methyl]-3-butyl-1-phenylthiourea |
| Formula | C18H21BrN2OS |
| Mass | 393.341 |
| Exact Mass | 392.0557966 |
| Composition | C (54.96%), H (5.38%), Br (20.31%), N (7.12%), O (4.07%), S (8.15%) |
| Atom Count | 44 |
| PI | 2.42 |
| Smiles | c1(cccc(c1O)Br)CN(C(=S)Nc1ccccc1)CCCC |
| InChI | 1S/C18H21BrN2OS/c1-2-3-12-21(13-14-8-7-11-16(19)17(14)22)18(23)20-15-9-5-4-6-10-15/h4-11,22H,2-3,12-
13H2,1H3,(H,20,23) |
| InChIKey | CTCXKWWYXMCWMT-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 | 24654698 |
| ChEMBL Link | CHEMBL606027 |
