| General Property |
| Molceule ID (DB) | EGIN0004378 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E9 |
| IUPAC Name | 2-[(5S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C18H13ClFN3OS |
| Mass | 373.832 |
| Exact Mass | 373.0451887 |
| Composition | C (57.83%), H (3.51%), Cl (9.48%), F (5.08%), N (11.24%), O (4.28%), S (8.58%) |
| Atom Count | 38 |
| PI | 4.05 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)Cl)C1=NC(=O)CS1)F |
| InChI | 1S/C18H13ClFN3OS/c19-13-5-1-12(2-6-13)16-9-15(11-3-7-14(20)8-4-11)22-23(16)18-21-17(24)10-25-18/h1-8
,16H,9-10H2/t16-/m0/s1 |
| InChIKey | DFNFUUKHJCBGNQ-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 | 22361272 |
| 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 | 28496956 |
| ChEMBL Link | - |
