| General Property |
| Molceule ID (DB) | EGIN0004392 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E29 |
| IUPAC Name | 2-[(5S)-3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C20H19N3OS |
| Mass | 349.449 |
| Exact Mass | 349.1248829 |
| Composition | C (68.74%), H (5.48%), N (12.02%), O (4.58%), S (9.18%) |
| Atom Count | 44 |
| PI | 7.85 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)C)C1=NC(=O)CS1)C |
| InChI | 1S/C20H19N3OS/c1-13-3-7-15(8-4-13)17-11-18(16-9-5-14(2)6-10-16)23(22-17)20-21-19(24)12-25-20/h3-10,1
8H,11-12H2,1-2H3/t18-/m0/s1 |
| InChIKey | VPPXRIQJRSEVGR-SFHVURJKSA-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 | 28497572 |
| ChEMBL Link | - |
