| General Property |
| Molceule ID (DB) | EGIN0004406 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E16 |
| IUPAC Name | 2-[(5S)-5-(4-bromophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
| Formula | C18H13BrClN3OS |
| Mass | 434.737 |
| Exact Mass | 432.9651231 |
| Composition | C (49.73%), H (3.01%), Br (18.38%), Cl (8.16%), N (9.67%), O (3.68%), S (7.38%) |
| Atom Count | 38 |
| PI | 4.04 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)Br)C1=NC(=O)CS1)Cl |
| InChI | 1S/C18H13BrClN3OS/c19-13-5-1-12(2-6-13)16-9-15(11-3-7-14(20)8-4-11)22-23(16)18-21-17(24)10-25-18/h1-
8,16H,9-10H2/t16-/m0/s1 |
| InChIKey | BCGJQZHTJZOQHC-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 | 28493418 |
| ChEMBL Link | - |
