General Property |
Molceule ID (DB) | EGIN0004404 |
Inhibitor Class | Pyrazolyl-thiazolinone |
Molecule Name in Refrence Article | E18 |
IUPAC Name | 2-[(5S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
Formula | C19H16ClN3O2S |
Mass | 385.867 |
Exact Mass | 385.0651752 |
Composition | C (59.14%), H (4.18%), Cl (9.19%), N (10.89%), O (8.29%), S (8.31%) |
Atom Count | 42 |
PI | 7.52 |
Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)OC)C1=NC(=O)CS1)Cl |
InChI | 1S/C19H16ClN3O2S/c1-25-15-8-4-13(5-9-15)17-10-16(12-2-6-14(20)7-3-12)22-23(17)19-21-18(24)11-26-19/h
2-9,17H,10-11H2,1H3/t17-/m0/s1 |
InChIKey | BGGNHDDNOKPDMN-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0004404.png) | Structure Backbone | ![](./frame/f_EGIN0004404.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 | 28498892 |
ChEMBL Link | - |