| General Property |
| Molceule ID (DB) | EGIN0004410 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E12 |
| IUPAC Name | 2-[(5S)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C19H16FN3O2S |
| Mass | 369.413 |
| Exact Mass | 369.0947257 |
| Composition | C (61.77%), H (4.37%), F (5.14%), N (11.37%), O (8.66%), S (8.68%) |
| Atom Count | 42 |
| PI | 7.52 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)OC)C1=NC(=O)CS1)F |
| InChI | 1S/C19H16FN3O2S/c1-25-15-8-4-13(5-9-15)17-10-16(12-2-6-14(20)7-3-12)22-23(17)19-21-18(24)11-26-19/h2
-9,17H,10-11H2,1H3/t17-/m0/s1 |
| InChIKey | RWZFERBECCSPBU-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 | 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 | 28493341 |
| ChEMBL Link | - |
