| General Property |
| Molceule ID (DB) | EGIN0000151 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D7 compound |
| IUPAC Name | 1-[(5S)-3-(3,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C17H14Cl2N2O |
| Mass | 333.212 |
| Exact Mass | 332.0483185 |
| Composition | C (61.28%), H (4.23%), Cl (21.28%), N (8.41%), O (4.8%) |
| Atom Count | 36 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1ccccc1)C(=O)C)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C17H14Cl2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)13-7-8-14(18)15(19)9-13/h2-9,17H,10H2,1H3
/t17-/m0/s1 |
| InChIKey | WFTQBZVNGVFVSA-KRWDZBQOSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
838762
|
| Drug Bank Link | - |
| ChemSpider Link | 732796 |
| ChEMBL Link | - |
