| General Property |
| Molceule ID (DB) | EGIN0003136 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | (6R)-6-(2,4-dihydroxyphenyl)-2-hydrazinyl-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C18H18N6O5 |
| Mass | 398.3727 |
| Exact Mass | 398.1338677 |
| Composition | C (54.27%), H (4.55%), N (21.1%), O (20.08%) |
| Atom Count | 47 |
| PI | 8.38 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)NN)O |
| InChI | 1S/C18H18N6O5/c1-9-15(17(27)21-10-3-2-4-11(7-10)24(28)29)16(22-18(20-9)23-19)13-6-5-12(25)8-14(13)26
/h2-8,16,25-26H,19H2,1H3,(H,21,27)(H2,20,22,23)/t16-/m1/s1 |
| InChIKey | OGASXTFKHUDJSL-MRXNPFEDSA-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 | CDK13 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24662907 |
| ChEMBL Link | CHEMBL1077095 |
