| General Property |
| Molceule ID (DB) | EGIN0004393 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E28 |
| IUPAC Name | 2-[(5S)-5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C19H16BrN3OS |
| Mass | 414.319 |
| Exact Mass | 413.0197455 |
| Composition | C (55.08%), H (3.89%), Br (19.29%), N (10.14%), O (3.86%), S (7.74%) |
| Atom Count | 41 |
| PI | 7.6 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)Br)C1=NC(=O)CS1)C |
| InChI | 1S/C19H16BrN3OS/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(20)9-7-14)23(22-16)19-21-18(24)11-25-19/h2-9,
17H,10-11H2,1H3/t17-/m0/s1 |
| InChIKey | DMSGOCXLZYJECI-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 | 28497561 |
| ChEMBL Link | - |
