| General Property |
| Molceule ID (DB) | EGIN0000132 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C18 compound |
| IUPAC Name | (5S)-3-(3,4-dichlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C16H12Cl2FN3S |
| Mass | 368.256 |
| Exact Mass | 367.0113017 |
| Composition | C (52.18%), H (3.28%), Cl (19.25%), F (5.16%), N (11.41%), S (8.71%) |
| Atom Count | 35 |
| PI | 6.02 |
| Smiles | C1(=NN([C@@H](C1)c1c(cccc1)F)C(=S)N)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C16H12Cl2FN3S/c17-11-6-5-9(7-12(11)18)14-8-15(22(21-14)16(20)23)10-3-1-2-4-13(10)19/h1-7,15H,8H2,
(H2,20,23)/t15-/m0/s1 |
| InChIKey | XCCBBLZKVMCHHJ-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 | 25038858 |
| ChEMBL Link | CHEMBL1173665 |
