| General Property |
| Molceule ID (DB) | EGIN0000119 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C5 compound |
| IUPAC Name | (5S)-3-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C19H21N3OS |
| Mass | 339.455 |
| Exact Mass | 339.140533 |
| Composition | C (67.23%), H (6.24%), N (12.38%), O (4.71%), S (9.45%) |
| Atom Count | 45 |
| PI | 6.79 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)OC)C(=S)N)c1cc(c(cc1)C)C |
| InChI | 1S/C19H21N3OS/c1-12-4-5-15(10-13(12)2)17-11-18(22(21-17)19(20)24)14-6-8-16(23-3)9-7-14/h4-10,18H,11H
2,1-3H3,(H2,20,24)/t18-/m0/s1 |
| InChIKey | DHEZMKZYJNFVFC-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 25037202 |
| ChEMBL Link | CHEMBL1173814 |
