| General Property |
| Molceule ID (DB) | EGIN0000148 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D4 compound |
| IUPAC Name | 1-[(5S)-3-(3,4-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C18H16Cl2N2O |
| Mass | 347.238 |
| Exact Mass | 346.0639686 |
| Composition | C (62.26%), H (4.64%), Cl (20.42%), N (8.07%), O (4.61%) |
| Atom Count | 39 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)C)C(=O)C)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C18H16Cl2N2O/c1-11-3-5-13(6-4-11)18-10-17(21-22(18)12(2)23)14-7-8-15(19)16(20)9-14/h3-9,18H,10H2,
1-2H3/t18-/m0/s1 |
| InChIKey | DQVOWUXKZUVAOF-SFHVURJKSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 25048139 |
| ChEMBL Link | CHEMBL1171822 |
