General Property |
Molceule ID (DB) | EGIN0002723 |
Inhibitor Class | Acrylo-phenone |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | 4-{2-[(dimethylamino)methyl]prop-2-enoyl}phenyl 4-{[(dimethylamino)oxy]methyl}-3-hydroxybenzene-1-sulfonate |
Formula | C21H26N2O6S |
Mass | 434.506 |
Exact Mass | 434.1511573 |
Composition | C (58.05%), H (6.03%), N (6.45%), O (22.09%), S (7.38%) |
Atom Count | 56 |
PI | 7.58 |
Smiles | CN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2cc(c(cc2)CON(C)C)O)cc1 |
InChI | 1S/C21H26N2O6S/c1-15(13-22(2)3)21(25)16-6-9-18(10-7-16)29-30(26,27)19-11-8-17(20(24)12-19)14-28-23(4
)5/h6-12,24H,1,13-14H2,2-5H3 |
InChIKey | CENQGFVZUQEMPT-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 7608909 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | c-Src | PKC | v-ab1 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL1194428 |