| General Property |
| Molceule ID (DB) | EGIN0004389 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E31 |
| IUPAC Name | 2-[(5S)-3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C19H17N3O2S |
| Mass | 351.422 |
| Exact Mass | 351.1041475 |
| Composition | C (64.94%), H (4.88%), N (11.96%), O (9.11%), S (9.12%) |
| Atom Count | 42 |
| PI | 7.65 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccccc1)C1=NC(=O)CS1)OC |
| InChI | 1S/C19H17N3O2S/c1-24-15-9-7-13(8-10-15)16-11-17(14-5-3-2-4-6-14)22(21-16)19-20-18(23)12-25-19/h2-10,
17H,11-12H2,1H3/t17-/m0/s1 |
| InChIKey | MHPKGGGCCZJCKM-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 | 28497574 |
| ChEMBL Link | - |
