| General Property |
| Molceule ID (DB) | EGIN0000149 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D5 compound |
| IUPAC Name | 1-[(5S)-3-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C18H16Cl2N2O2 |
| Mass | 363.238 |
| Exact Mass | 362.0588832 |
| Composition | C (59.52%), H (4.44%), Cl (19.52%), N (7.71%), O (8.81%) |
| Atom Count | 40 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)OC)C(=O)C)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C18H16Cl2N2O2/c1-11(23)22-18(12-3-6-14(24-2)7-4-12)10-17(21-22)13-5-8-15(19)16(20)9-13/h3-9,18H,1
0H2,1-2H3/t18-/m0/s1 |
| InChIKey | WIMSPGRFJUGMEL-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 | 23934377 |
| ChEMBL Link | CHEMBL1173680 |
