| General Property |
| Molceule ID (DB) | EGIN0000121 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C7 compound |
| IUPAC Name | (5S)-3-(3,4-dimethylphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C18H18N4O2S |
| Mass | 354.426 |
| Exact Mass | 354.1150465 |
| Composition | C (61%), H (5.12%), N (15.81%), O (9.03%), S (9.05%) |
| Atom Count | 43 |
| PI | 6.51 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)N(=O)=O)C(=S)N)c1cc(c(cc1)C)C |
| InChI | 1S/C18H18N4O2S/c1-11-3-4-14(9-12(11)2)16-10-17(21(20-16)18(19)25)13-5-7-15(8-6-13)22(23)24/h3-9,17H,
10H2,1-2H3,(H2,19,25)/t17-/m0/s1 |
| InChIKey | SQRBULDMAYBTJT-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 | 25045672 |
| ChEMBL Link | CHEMBL1173454 |
