| General Property |
| Molceule ID (DB) | EGIN0004399 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E22 |
| IUPAC Name | 2-[(5S)-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C18H13Br2N3OS |
| Mass | 479.188 |
| Exact Mass | 476.914608 |
| Composition | C (45.12%), H (2.73%), Br (33.35%), N (8.77%), O (3.34%), S (6.69%) |
| Atom Count | 38 |
| PI | 4.03 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)Br)C1=NC(=O)CS1)Br |
| InChI | 1S/C18H13Br2N3OS/c19-13-5-1-11(2-6-13)15-9-16(12-3-7-14(20)8-4-12)23(22-15)18-21-17(24)10-25-18/h1-8
,16H,9-10H2/t16-/m0/s1 |
| InChIKey | SYYWHQJNQNTVHC-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 | 28493907 |
| ChEMBL Link | - |
