| General Property |
| Molceule ID (DB) | EGIN0003130 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3d compound |
| IUPAC Name | (6R)-2-[(2-chloro-4-nitrophenyl)amino]-6-(2,4-dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide |
| Formula | C24H19ClN6O7 |
| Mass | 538.897 |
| Exact Mass | 538.1003747 |
| Composition | C (53.49%), H (3.55%), Cl (6.58%), N (15.59%), O (20.78%) |
| Atom Count | 57 |
| PI | 7.09 |
| Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)Nc1ccc(cc1Cl)[N+](=O)[O-])O |
| InChI | 1S/C24H19ClN6O7/c1-12-21(23(34)27-13-3-2-4-14(9-13)30(35)36)22(17-7-6-16(32)11-20(17)33)29-24(26-12)
28-19-8-5-15(31(37)38)10-18(19)25/h2-11,22,32-33H,1H3,(H,27,34)(H2,26,28,29)/t22-/m1/s1 |
| InChIKey | NXGCQLHYEBASEL-JOCHJYFZSA-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 | CDK7 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24665623 |
| ChEMBL Link | CHEMBL1086151 |
