| General Property |
| Molceule ID (DB) | EGIN0003133 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | (6S)-6-(2,4-dihydroxyphenyl)-4-methyl-2-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C28H25N7O8S |
| Mass | 619.605 |
| Exact Mass | 619.1485315 |
| Composition | C (54.28%), H (4.07%), N (15.82%), O (20.66%), S (5.18%) |
| Atom Count | 69 |
| PI | 6.32 |
| 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)Nc1noc(c1)C |
| InChI | 1S/C28H25N7O8S/c1-15-12-24(33-43-15)34-44(41,42)21-9-6-17(7-10-21)31-28-29-16(2)25(26(32-28)22-11-8-
20(36)14-23(22)37)27(38)30-18-4-3-5-19(13-18)35(39)40/h3-14,26,36-37H,1-2H3,(H,30,38)(H,33,34)(H2,29
,31,32)/t26-/m0/s1 |
| InChIKey | XRHFLWICCHJVKH-SANMLTNESA-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 | CDK10 | |
| Pub Chem Link |
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|
| Drug Bank Link | - |
| ChemSpider Link | 24683877 |
| ChEMBL Link | CHEMBL1077070 |
