| General Property |
| Molceule ID (DB) | EGIN0000131 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C17 compound |
| IUPAC Name | (5S)-3-(3,4-dichlorophenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C16H12Cl2N4O2S |
| Mass | 395.263 |
| Exact Mass | 394.0058018 |
| Composition | C (48.62%), H (3.06%), Cl (17.94%), N (14.17%), O (8.1%), S (8.11%) |
| Atom Count | 37 |
| PI | 5.98 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)N(=O)=O)C(=S)N)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C16H12Cl2N4O2S/c17-12-6-3-10(7-13(12)18)14-8-15(21(20-14)16(19)25)9-1-4-11(5-2-9)22(23)24/h1-7,15
H,8H2,(H2,19,25)/t15-/m0/s1 |
| InChIKey | ORDPHVUTWZTFSU-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 25049966 |
| ChEMBL Link | CHEMBL1173666 |
