| General Property |
| Molceule ID (DB) | EGIN0003127 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | (6R)-2-(benzylamino)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(4-methylphenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C26H26N4O3 |
| Mass | 442.5096 |
| Exact Mass | 442.2004907 |
| Composition | C (70.57%), H (5.92%), N (12.66%), O (10.85%) |
| Atom Count | 59 |
| PI | 8.97 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)NCc1ccccc1)O |
| InChI | 1S/C26H26N4O3/c1-16-8-10-19(11-9-16)29-25(33)23-17(2)28-26(27-15-18-6-4-3-5-7-18)30-24(23)21-13-12-2
0(31)14-22(21)32/h3-14,24,31-32H,15H2,1-2H3,(H,29,33)(H2,27,28,30)/t24-/m1/s1 |
| InChIKey | MTMATWPRRFOMBX-XMMPIXPASA-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 | CDK4 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24667870 |
| ChEMBL Link | CHEMBL1088348 |
