| General Property |
| Molceule ID (DB) | EGIN0000152 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D8 compound |
| IUPAC Name | 1-[(5S)-3-(3,4-dichlorophenyl)-5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C19H18Cl2N2O3 |
| Mass | 393.264 |
| Exact Mass | 392.0694479 |
| Composition | C (58.03%), H (4.61%), Cl (18.03%), N (7.12%), O (12.21%) |
| Atom Count | 44 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1cc(cc(c1)OC)OC)C(=O)C)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C19H18Cl2N2O3/c1-11(24)23-19(13-6-14(25-2)9-15(7-13)26-3)10-18(22-23)12-4-5-16(20)17(21)8-12/h4-9
,19H,10H2,1-3H3/t19-/m0/s1 |
| InChIKey | AUUDLJVRYOAHGV-IBGZPJMESA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 25038608 |
| ChEMBL Link | CHEMBL1172602 |
