| General Property |
| Molceule ID (DB) | EGIN0000128 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C14 compound |
| IUPAC Name | (5S)-3-(3,4-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C17H15Cl2N3S |
| Mass | 364.292 |
| Exact Mass | 363.0363736 |
| Composition | C (56.05%), H (4.15%), Cl (19.46%), N (11.53%), S (8.8%) |
| Atom Count | 38 |
| PI | 6.27 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)C)C(=S)N)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C17H15Cl2N3S/c1-10-2-4-11(5-3-10)16-9-15(21-22(16)17(20)23)12-6-7-13(18)14(19)8-12/h2-8,16H,9H2,1
H3,(H2,20,23)/t16-/m0/s1 |
| InChIKey | HYKGIFCAVSPOCM-INIZCTEOSA-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 | 25038341 |
| ChEMBL Link | CHEMBL1172916 |
