| General Property |
| Molceule ID (DB) | EGIN0001296 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8f compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}-N-(2-methoxyethyl)pyrimidine-5-carboxamide |
| Formula | C21H22ClN5O3 |
| Mass | 427.884 |
| Exact Mass | 427.1411173 |
| Composition | C (58.95%), H (5.18%), Cl (8.29%), N (16.37%), O (11.22%) |
| Atom Count | 52 |
| PI | 9.24 |
| Smiles | c1(ncnc(c1C(=O)NCCOC)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-
4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27) |
| InChIKey | PILVVZXXLLAZDK-UHFFFAOYSA-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 | 18678484 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora A | CDK1 | VEGFR2 | ALL |
| Pub Chem Link |
25271513
|
| Drug Bank Link | - |
| ChemSpider Link | 23331434 |
| ChEMBL Link | CHEMBL517745 |
