| General Property |
| Molceule ID (DB) | EGIN0002575 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 4-formylphenyl 4-(butylcarbamoyl)benzene-1-sulfonate |
| Formula | C18H19NO5S |
| Mass | 361.412 |
| Exact Mass | 361.0983934 |
| Composition | C (59.82%), H (5.3%), N (3.88%), O (22.13%), S (8.87%) |
| Atom Count | 44 |
| PI | 6.48 |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C=O)C(=O)NCCCC |
| InChI | 1S/C18H19NO5S/c1-2-3-12-19-18(21)15-6-10-17(11-7-15)25(22,23)24-16-8-4-14(13-20)5-9-16/h4-11,13H,2-3
,12H2,1H3,(H,19,21) |
| InChIKey | XBWXPGDFGTXJHJ-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 | 1652014 |
| 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 |
14862538
|
| Drug Bank Link | - |
| ChemSpider Link | 23167132 |
| ChEMBL Link | CHEMBL74038 |
