General Property |
Molceule ID (DB) | EGIN0004413 |
Inhibitor Class | Pyrazolyl-thiazolinone |
Molecule Name in Refrence Article | E1 |
IUPAC Name | 2-[(5S)-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
Formula | C18H15N3OS |
Mass | 321.396 |
Exact Mass | 321.0935828 |
Composition | C (67.27%), H (4.7%), N (13.07%), O (4.98%), S (9.98%) |
Atom Count | 38 |
PI | 7.79 |
Smiles | c1cccc(c1)C1=NN([C@@H](C1)c1ccccc1)C1=NC(=O)CS1 |
InChI | 1S/C18H15N3OS/c22-17-12-23-18(19-17)21-16(14-9-5-2-6-10-14)11-15(20-21)13-7-3-1-4-8-13/h1-10,16H,11-
12H2/t16-/m0/s1 |
InChIKey | ZJSPQEYXVVTWGL-INIZCTEOSA-N |
2D Structure | ![](./image/EGIN0004413.png) | Structure Backbone | ![](./frame/f_EGIN0004413.png) |
|
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 28493276 |
ChEMBL Link | - |