| General Property |
| Molceule ID (DB) | EGIN0000115 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C1 compound |
| IUPAC Name | (5S)-3-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C18H18FN3S |
| Mass | 327.419 |
| Exact Mass | 327.1205465 |
| Composition | C (66.03%), H (5.54%), F (5.8%), N (12.83%), S (9.79%) |
| Atom Count | 41 |
| PI | 6.61 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)F)C(=S)N)c1cc(c(cc1)C)C |
| InChI | 1S/C18H18FN3S/c1-11-3-4-14(9-12(11)2)16-10-17(22(21-16)18(20)23)13-5-7-15(19)8-6-13/h3-9,17H,10H2,1-
2H3,(H2,20,23)/t17-/m0/s1 |
| InChIKey | MMRNBNZGCDCCFK-KRWDZBQOSA-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 | 25038785 |
| ChEMBL Link | CHEMBL1173455 |
