| General Property |
| Molceule ID (DB) | EGIN0003126 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 2b compound |
| IUPAC Name | (6R)-2-(benzylsulfanyl)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C25H22N4O5S |
| Mass | 490.531 |
| Exact Mass | 490.1310905 |
| Composition | C (61.21%), H (4.52%), N (11.42%), O (16.31%), S (6.54%) |
| Atom Count | 57 |
| PI | 7.22 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)SCc1ccccc1)O |
| InChI | 1S/C25H22N4O5S/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)35-14-16-6-3-2-4-7-16/h2-13,23,30-31H,14H2,1H3,(H,26,28)(H,27,32)/t23-/m1/s1 |
| InChIKey | QZKXCRWQSNLJQJ-HSZRJFAPSA-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 | CDK3 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24665862 |
| ChEMBL Link | CHEMBL1087055 |
