| General Property |
| Molceule ID (DB) | EGIN0003128 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | (6R)-2-[(2-chloro-4-nitrophenyl)amino]-6-(2,4-dihydroxyphenyl)-4-methyl-N-(4-methylphenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C25H22ClN5O5 |
| Mass | 507.926 |
| Exact Mass | 507.1309465 |
| Composition | C (59.12%), H (4.37%), Cl (6.98%), N (13.79%), O (15.75%) |
| Atom Count | 58 |
| PI | 7.32 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)Nc1ccc(cc1Cl)[N+](=O)[O-])O |
| InChI | 1S/C25H22ClN5O5/c1-13-3-5-15(6-4-13)28-24(34)22-14(2)27-25(29-20-10-7-16(31(35)36)11-19(20)26)30-23(
22)18-9-8-17(32)12-21(18)33/h3-12,23,32-33H,1-2H3,(H,28,34)(H2,27,29,30)/t23-/m1/s1 |
| InChIKey | FZNFCLCTTNGMQK-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 | CDK5 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24675950 |
| ChEMBL Link | CHEMBL1084117 |
