| General Property |
| Molceule ID (DB) | EGIN0004409 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E13 |
| IUPAC Name | 2-[(5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C18H14ClN3OS |
| Mass | 355.841 |
| Exact Mass | 355.0546105 |
| Composition | C (60.76%), H (3.97%), Cl (9.96%), N (11.81%), O (4.5%), S (9.01%) |
| Atom Count | 38 |
| PI | 7.56 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccccc1)C1=NC(=O)CS1)Cl |
| InChI | 1S/C18H14ClN3OS/c19-14-8-6-12(7-9-14)15-10-16(13-4-2-1-3-5-13)22(21-15)18-20-17(23)11-24-18/h1-9,16H
,10-11H2/t16-/m0/s1 |
| InChIKey | VTXQTIHBNGSDQB-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 28493342 |
| ChEMBL Link | - |
