| General Property |
| Molceule ID (DB) | EGIN0003131 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3e compound |
| IUPAC Name | (6S)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C28H24N8O7S |
| Mass | 616.605 |
| Exact Mass | 616.1488659 |
| Composition | C (54.54%), H (3.92%), N (18.17%), O (18.16%), S (5.2%) |
| Atom Count | 68 |
| PI | 6.04 |
| Smiles | C1(=NC(=C([C@@H](N1)c1c(cc(cc1)O)O)C(=O)Nc1cc(ccc1)[N+](=O)[O-])C)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 |
| InChI | 1S/C28H24N8O7S/c1-16-24(26(39)32-18-4-2-5-19(14-18)36(40)41)25(22-11-8-20(37)15-23(22)38)34-28(31-16
)33-17-6-9-21(10-7-17)44(42,43)35-27-29-12-3-13-30-27/h2-15,25,37-38H,1H3,(H,32,39)(H,29,30,35)(H2,3
1,33,34)/t25-/m0/s1 |
| InChIKey | LTRYGAMGZCOPIN-VWLOTQADSA-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 | CDK8 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24666125 |
| ChEMBL Link | CHEMBL1077068 |
