| General Property |
| Molceule ID (DB) | EGIN0004413 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E1 |
| IUPAC Name | 2-[(5S)-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C18H15N3OS |
| Mass | 321.396 |
| Exact Mass | 321.0935828 |
| Composition | C (67.27%), H (4.7%), N (13.07%), O (4.98%), S (9.98%) |
| Atom Count | 38 |
| PI | 7.79 |
| Smiles | c1cccc(c1)C1=NN([C@@H](C1)c1ccccc1)C1=NC(=O)CS1 |
| InChI | 1S/C18H15N3OS/c22-17-12-23-18(19-17)21-16(14-9-5-2-6-10-14)11-15(20-21)13-7-3-1-4-8-13/h1-10,16H,11-
12H2/t16-/m0/s1 |
| InChIKey | ZJSPQEYXVVTWGL-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 | 28493276 |
| ChEMBL Link | - |
