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 | ![](./image/EGIN0002575.png) | Structure Backbone | ![](./frame/f_EGIN0002575.png) |
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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 |