| General Property |
| Molceule ID (DB) | EGIN0003134 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 4a compound |
| IUPAC Name | 2-benzylsulfonyl-4-(2,4-dihydroxyphenyl)-6-methyl-N-(4-methylphenyl)pyrimidine-5-carboxamide |
| Formula | C26H23N3O5S |
| Mass | 489.543 |
| Exact Mass | 489.1358416 |
| Composition | C (63.79%), H (4.74%), N (8.58%), O (16.34%), S (6.55%) |
| Atom Count | 58 |
| PI | 1.99 |
| Smiles | O=S(=O)(c1nc(c2c(cc(cc2)O)O)c(c(n1)C)C(=O)Nc1ccc(cc1)C)Cc1ccccc1 |
| InChI | 1S/C26H23N3O5S/c1-16-8-10-19(11-9-16)28-25(32)23-17(2)27-26(35(33,34)15-18-6-4-3-5-7-18)29-24(23)21-
13-12-20(30)14-22(21)31/h3-14,30-31H,15H2,1-2H3,(H,28,32) |
| InChIKey | HMSBAZGHWONPDU-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 | 20045222 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK11 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24665624 |
| ChEMBL Link | CHEMBL1086152 |
