| General Property |
| Molceule ID (DB) | EGIN0000147 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | D3 compound |
| IUPAC Name | 1-[(5S)-5-(4-bromophenyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Formula | C17H13BrCl2N2O |
| Mass | 412.108 |
| Exact Mass | 409.9588311 |
| Composition | C (49.55%), H (3.18%), Br (19.39%), Cl (17.21%), N (6.8%), O (3.88%) |
| Atom Count | 36 |
| PI | No isoelectric point. |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)Br)C(=O)C)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C17H13BrCl2N2O/c1-10(23)22-17(11-2-5-13(18)6-3-11)9-16(21-22)12-4-7-14(19)15(20)8-12/h2-8,17H,9H2
,1H3/t17-/m0/s1 |
| InChIKey | JTFRWVFFXGWODA-KRWDZBQOSA-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 | 25037203 |
| ChEMBL Link | CHEMBL1173816 |
