General Property |
Molceule ID (DB) | EGIN0004405 |
Inhibitor Class | Pyrazolyl-thiazolinone |
Molecule Name in Refrence Article | E17 |
IUPAC Name | 2-[(5S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
Formula | C19H16ClN3OS |
Mass | 369.868 |
Exact Mass | 369.0702605 |
Composition | C (61.7%), H (4.36%), Cl (9.59%), N (11.36%), O (4.33%), S (8.67%) |
Atom Count | 41 |
PI | 7.6 |
Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)C)C1=NC(=O)CS1)Cl |
InChI | 1S/C19H16ClN3OS/c1-12-2-4-14(5-3-12)17-10-16(13-6-8-15(20)9-7-13)22-23(17)19-21-18(24)11-25-19/h2-9,
17H,10-11H2,1H3/t17-/m0/s1 |
InChIKey | XGYONXNDSMGIDL-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0004405.png) | Structure Backbone | ![](./frame/f_EGIN0004405.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 | 28498490 |
ChEMBL Link | - |