| General Property |
| Molceule ID (DB) | EGIN0003125 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 2a compound |
| IUPAC Name | (6R)-2-(benzylsulfanyl)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(4-methylphenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C26H25N3O3S |
| Mass | 459.56 |
| Exact Mass | 459.1616624 |
| Composition | C (67.95%), H (5.48%), N (9.14%), O (10.44%), S (6.98%) |
| Atom Count | 58 |
| PI | 7.22 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)SCc1ccccc1)O |
| InChI | 1S/C26H25N3O3S/c1-16-8-10-19(11-9-16)28-25(32)23-17(2)27-26(33-15-18-6-4-3-5-7-18)29-24(23)21-13-12-
20(30)14-22(21)31/h3-14,24,30-31H,15H2,1-2H3,(H,27,29)(H,28,32)/t24-/m1/s1 |
| InChIKey | HGHKZQFWOAHCDL-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 | CDK2 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24665686 |
| ChEMBL Link | CHEMBL1087054 |
