| General Property |
| Molceule ID (DB) | EGIN0000160 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D16 compound |
| IUPAC Name | 1-[(5S)-5-(3,5-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C21H24N2O3 |
| Mass | 352.4269 |
| Exact Mass | 352.1786926 |
| Composition | C (71.57%), H (6.86%), N (7.95%), O (13.62%) |
| Atom Count | 50 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1cc(cc(c1)OC)OC)C(=O)C)c1cc(c(cc1)C)C |
| InChI | 1S/C21H24N2O3/c1-13-6-7-16(8-14(13)2)20-12-21(23(22-20)15(3)24)17-9-18(25-4)11-19(10-17)26-5/h6-11,2
1H,12H2,1-5H3/t21-/m0/s1 |
| InChIKey | IFBBHVRVNLEUFC-NRFANRHFSA-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 | 25035500 |
| ChEMBL Link | CHEMBL1173105 |
