| General Property |
| Molceule ID (DB) | EGIN0004400 |
| Inhibitor Class | Pyrazolyl-thiazolinone |
| Molecule Name in Refrence Article | E21 |
| IUPAC Name | 2-[(5S)-3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one hydrochloride |
| Formula | C18H14BrCl2N3OS |
| Mass | 471.198 |
| Exact Mass | 468.9418008 |
| Composition | C (45.88%), H (2.99%), Br (16.96%), Cl (15.05%), N (8.92%), O (3.4%), S (6.8%) |
| Atom Count | 40 |
| PI | 4.03 |
| Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)Cl)C1=NC(=O)CS1)Br.Cl |
| InChI | 1S/C18H13BrClN3OS.ClH/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;1H/t16-;/m0./s1 |
| InChIKey | CQIJXKLMPZMZEG-NTISSMGPSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | - |
| ChEMBL Link | - |
