| General Property |
| Molceule ID (DB) | EGIN0004384 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E36 |
| IUPAC Name | 2-[(5S)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C20H19N3O3S |
| Mass | 381.448 |
| Exact Mass | 381.1147122 |
| Composition | C (62.97%), H (5.02%), N (11.02%), O (12.58%), S (8.41%) |
| Atom Count | 46 |
| PI | 7.6 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)OC)C1=NC(=O)CS1)OC |
| InChI | 1S/C20H19N3O3S/c1-25-15-7-3-13(4-8-15)17-11-18(14-5-9-16(26-2)10-6-14)23(22-17)20-21-19(24)12-27-20/
h3-10,18H,11-12H2,1-2H3/t18-/m0/s1 |
| InChIKey | QATSQOZRVCGSQI-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 | 28496750 |
| ChEMBL Link | - |
