General Property |
Molceule ID (DB) | EGIN0000122 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | C8 compound |
IUPAC Name | (5S)-3-(3,4-dimethylphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
Formula | C18H18FN3S |
Mass | 327.419 |
Exact Mass | 327.1205465 |
Composition | C (66.03%), H (5.54%), F (5.8%), N (12.83%), S (9.79%) |
Atom Count | 41 |
PI | 6.62 |
Smiles | C1(=NN([C@@H](C1)c1c(cccc1)F)C(=S)N)c1cc(c(cc1)C)C |
InChI | 1S/C18H18FN3S/c1-11-7-8-13(9-12(11)2)16-10-17(22(21-16)18(20)23)14-5-3-4-6-15(14)19/h3-9,17H,10H2,1-
2H3,(H2,20,23)/t17-/m0/s1 |
InChIKey | FFHSFKHBUUUYTG-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0000122.png) | Structure Backbone | ![](./frame/f_EGIN0000122.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 | 20627597 |
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 | 25047997 |
ChEMBL Link | CHEMBL1169856 |