| General Property |
| Molceule ID (DB) | EGIN0003129 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3c compound |
| IUPAC Name | (6R)-2-(benzylamino)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C25H23N5O5 |
| Mass | 473.4806 |
| Exact Mass | 473.1699189 |
| Composition | C (63.42%), H (4.9%), N (14.79%), O (16.9%) |
| Atom Count | 58 |
| PI | 8.77 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)NCc1ccccc1)O |
| InChI | 1S/C25H23N5O5/c1-15-22(24(33)28-17-8-5-9-18(12-17)30(34)35)23(20-11-10-19(31)13-21(20)32)29-25(27-15
)26-14-16-6-3-2-4-7-16/h2-13,23,31-32H,14H2,1H3,(H,28,33)(H2,26,27,29)/t23-/m1/s1 |
| InChIKey | IEDLVLMGPKSJGC-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 | CDK6 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24663329 |
| ChEMBL Link | CHEMBL1084118 |
