General Property |
Molceule ID (DB) | EGIN0004382 |
Inhibitor Class | Pyrazolyl-thiazolinone |
Molecule Name in Refrence Article | E5 |
IUPAC Name | 2-[(5S)-5-(4-methylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
Formula | C19H17N3OS |
Mass | 335.423 |
Exact Mass | 335.1092329 |
Composition | C (68.03%), H (5.11%), N (12.53%), O (4.77%), S (9.56%) |
Atom Count | 41 |
PI | 7.82 |
Smiles | c1cccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)C)C1=NC(=O)CS1 |
InChI | 1S/C19H17N3OS/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)21-22(17)19-20-18(23)12-24-19/h2-10,17H,
11-12H2,1H3/t17-/m0/s1 |
InChIKey | VJEUAMRGXUPVET-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0004382.png) | Structure Backbone | ![](./frame/f_EGIN0004382.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 | 28498721 |
ChEMBL Link | - |