| General Property |
| Molceule ID (DB) | EGIN0000157 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D13 compound |
| IUPAC Name | 1-[(5S)-3-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C20H22N2O2 |
| Mass | 322.4009 |
| Exact Mass | 322.168128 |
| Composition | C (74.51%), H (6.88%), N (8.69%), O (9.93%) |
| Atom Count | 46 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)OC)C(=O)C)c1cc(c(cc1)C)C |
| InChI | 1S/C20H22N2O2/c1-13-5-6-17(11-14(13)2)19-12-20(22(21-19)15(3)23)16-7-9-18(24-4)10-8-16/h5-11,20H,12H
2,1-4H3/t20-/m0/s1 |
| InChIKey | BSVIZWSWNYCASX-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 | 25045103 |
| ChEMBL Link | CHEMBL1173397 |
