| General Property |
| Molceule ID (DB) | EGIN0003135 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 4b compound |
| IUPAC Name | 2-benzylsulfonyl-4-(2,4-dihydroxyphenyl)-6-methyl-N-(3-nitrophenyl)pyrimidine-5-carboxamide |
| Formula | C25H20N4O7S |
| Mass | 520.514 |
| Exact Mass | 520.1052697 |
| Composition | C (57.69%), H (3.87%), N (10.76%), O (21.52%), S (6.16%) |
| Atom Count | 57 |
| PI | 1.85 |
| Smiles | O=S(=O)(c1nc(c2c(cc(cc2)O)O)c(c(n1)C)C(=O)Nc1cccc(c1)[N+](=O)[O-])Cc1ccccc1 |
| InChI | 1S/C25H20N4O7S/c1-15-22(24(32)27-17-8-5-9-18(12-17)29(33)34)23(20-11-10-19(30)13-21(20)31)28-25(26-1
5)37(35,36)14-16-6-3-2-4-7-16/h2-13,30-31H,14H2,1H3,(H,27,32) |
| InChIKey | SGBCBBPNEGMTLI-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 | CDK12 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24663142 |
| ChEMBL Link | CHEMBL1083509 |
