| General Property |
| Molceule ID (DB) | EGIN0000156 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D12 compound |
| IUPAC Name | 1-[(5S)-3-(3,4-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C20H22N2O |
| Mass | 306.4015 |
| Exact Mass | 306.1732133 |
| Composition | C (78.4%), H (7.24%), N (9.14%), O (5.22%) |
| Atom Count | 45 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)C)C(=O)C)c1cc(c(cc1)C)C |
| InChI | 1S/C20H22N2O/c1-13-5-8-17(9-6-13)20-12-19(21-22(20)16(4)23)18-10-7-14(2)15(3)11-18/h5-11,20H,12H2,1-
4H3/t20-/m0/s1 |
| InChIKey | JUIDUMLDDCXYKB-FQEVSTJZSA-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 | 25047050 |
| ChEMBL Link | CHEMBL1173319 |
