| General Property |
| Molceule ID (DB) | EGIN0004027 |
| Inhibitor Class | Triazole |
| Molecule Name in Refrence Article | 3c compound |
| IUPAC Name | 4-({1-[(2,6-difluoro-3-methylphenyl)carbonyl]-5-methyl-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide |
| Formula | C17H15F2N5O3S |
| Mass | 407.395 |
| Exact Mass | 407.0863665 |
| Composition | C (50.12%), H (3.71%), F (9.33%), N (17.19%), O (11.78%), S (7.87%) |
| Atom Count | 43 |
| PI | 3.62 |
| Smiles | n1(C(=O)c2c(c(ccc2F)C)F)nc(nc1C)Nc1ccc(S(=O)(=O)N)cc1 |
| InChI | 1S/C17H15F2N5O3S/c1-9-3-8-13(18)14(15(9)19)16(25)24-10(2)21-17(23-24)22-11-4-6-12(7-5-11)28(20,26)27
/h3-8H,1-2H3,(H,22,23)(H2,20,26,27) |
| InChIKey | BHQZGGSZRHDQFZ-UHFFFAOYSA-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 | 15974571 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | calmodulin kinase | Casein Kinase 1 | casein kinase 2 | PKA | PKC alpha/gamma | PKC beta2 | CDK2/cyclinA | PDGFR beta | CDK4/cyclinD1 | FGFR2 | CDK1/cyclinB | GSK-3 | VEGFR2 | MAP kinase/ERK2 | insulin kinase beta | ALL |
| Pub Chem Link |
44398371
|
| Drug Bank Link | - |
| ChemSpider Link | 23256996 |
| ChEMBL Link | CHEMBL363607 |
