General Property |
Molceule ID (DB) | EGIN0004409 |
Inhibitor Class | Pyrazolyl-thiazolinone |
Molecule Name in Refrence Article | E13 |
IUPAC Name | 2-[(5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
Formula | C18H14ClN3OS |
Mass | 355.841 |
Exact Mass | 355.0546105 |
Composition | C (60.76%), H (3.97%), Cl (9.96%), N (11.81%), O (4.5%), S (9.01%) |
Atom Count | 38 |
PI | 7.56 |
Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccccc1)C1=NC(=O)CS1)Cl |
InChI | 1S/C18H14ClN3OS/c19-14-8-6-12(7-9-14)15-10-16(13-4-2-1-3-5-13)22(21-15)18-20-17(23)11-24-18/h1-9,16H
,10-11H2/t16-/m0/s1 |
InChIKey | VTXQTIHBNGSDQB-INIZCTEOSA-N |
2D Structure | ![](./image/EGIN0004409.png) | Structure Backbone | ![](./frame/f_EGIN0004409.png) |
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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 | 28493342 |
ChEMBL Link | - |