| General Property |
| Molceule ID (DB) | EGIN0000118 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C4 compound |
| IUPAC Name | (5S)-3-(3,4-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C19H21N3S |
| Mass | 323.455 |
| Exact Mass | 323.1456184 |
| Composition | C (70.55%), H (6.54%), N (12.99%), S (9.91%) |
| Atom Count | 44 |
| PI | 6.93 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)C)C(=S)N)c1cc(c(cc1)C)C |
| InChI | 1S/C19H21N3S/c1-12-4-7-15(8-5-12)18-11-17(21-22(18)19(20)23)16-9-6-13(2)14(3)10-16/h4-10,18H,11H2,1-
3H3,(H2,20,23)/t18-/m0/s1 |
| InChIKey | AAXJTXUUVCETME-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 | 25037201 |
| ChEMBL Link | CHEMBL1173813 |
