| General Property |
| Molceule ID (DB) | EGIN0003132 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3f compound |
| IUPAC Name | (6S)-6-(2,4-dihydroxyphenyl)-2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C30H28N8O7S |
| Mass | 644.658 |
| Exact Mass | 644.180166 |
| Composition | C (55.89%), H (4.38%), N (17.38%), O (17.37%), S (4.97%) |
| Atom Count | 74 |
| PI | 5.91 |
| 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)Nc1nc(cc(n1)C)C |
| InChI | 1S/C30H28N8O7S/c1-16-13-17(2)32-30(31-16)37-46(44,45)23-10-7-19(8-11-23)35-29-33-18(3)26(27(36-29)24
-12-9-22(39)15-25(24)40)28(41)34-20-5-4-6-21(14-20)38(42)43/h4-15,27,39-40H,1-3H3,(H,34,41)(H,31,32,
37)(H2,33,35,36)/t27-/m0/s1 |
| InChIKey | XVNPEUZODCBZID-MHZLTWQESA-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 | CDK9 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24666126 |
| ChEMBL Link | CHEMBL1077069 |
