| General Property |
| Molceule ID (DB) | EGIN0000158 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D14 compound |
| IUPAC Name | 1-[(5S)-5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C19H19ClN2O |
| Mass | 326.82 |
| Exact Mass | 326.1185909 |
| Composition | C (69.83%), H (5.86%), Cl (10.85%), N (8.57%), O (4.9%) |
| Atom Count | 42 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1c(cccc1)Cl)C(=O)C)c1cc(c(cc1)C)C |
| InChI | 1S/C19H19ClN2O/c1-12-8-9-15(10-13(12)2)18-11-19(22(21-18)14(3)23)16-6-4-5-7-17(16)20/h4-10,19H,11H2,
1-3H3/t19-/m0/s1 |
| InChIKey | OQAOOCZLZOAGHU-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 25047051 |
| ChEMBL Link | CHEMBL1171638 |
