| General Property |
| Molceule ID (DB) | EGIN0003138 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 6b compound |
| IUPAC Name | (6R)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)-2-[(E)-2-(thiophen-2-ylmethylidene)hydrazin-1-yl]-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C23H20N6O5S |
| Mass | 492.507 |
| Exact Mass | 492.1215885 |
| Composition | C (56.09%), H (4.09%), N (17.06%), O (16.24%), S (6.51%) |
| Atom Count | 55 |
| PI | 7.18 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)N/N=C/c1sccc1)O |
| InChI | 1S/C23H20N6O5S/c1-13-20(22(32)26-14-4-2-5-15(10-14)29(33)34)21(18-8-7-16(30)11-19(18)31)27-23(25-13)
28-24-12-17-6-3-9-35-17/h2-12,21,30-31H,1H3,(H,26,32)(H2,25,27,28)/b24-12+/t21-/m1/s1 |
| InChIKey | RWTKRIMHRRHEMB-DZHDYZGWSA-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 | CDK15 | |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24662648 |
| ChEMBL Link | CHEMBL1082230 |
