| General Property |
| Molceule ID (DB) | EGIN0000127 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C13 compound |
| IUPAC Name | (5S)-5-(4-bromophenyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C16H12BrCl2N3S |
| Mass | 429.162 |
| Exact Mass | 426.9312362 |
| Composition | C (44.78%), H (2.82%), Br (18.62%), Cl (16.52%), N (9.79%), S (7.47%) |
| Atom Count | 35 |
| PI | 6.02 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)Br)C(=S)N)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C16H12BrCl2N3S/c17-11-4-1-9(2-5-11)15-8-14(21-22(15)16(20)23)10-3-6-12(18)13(19)7-10/h1-7,15H,8H2
,(H2,20,23)/t15-/m0/s1 |
| InChIKey | SQWROUHFTLYQQG-HNNXBMFYSA-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 | 20627597 |
| 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 | 25038384 |
| ChEMBL Link | CHEMBL1172917 |
