| General Property |
| Molceule ID (DB) | EGIN0001299 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8i compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}-N-(4-methoxyphenyl)pyrimidine-5-carboxamide |
| Formula | C25H22ClN5O3 |
| Mass | 475.927 |
| Exact Mass | 475.1411173 |
| Composition | C (63.09%), H (4.66%), Cl (7.45%), N (14.72%), O (10.09%) |
| Atom Count | 56 |
| PI | 8.12 |
| Smiles | c1(ncnc(c1C(=O)Nc1ccc(cc1)OC)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C25H22ClN5O3/c1-33-19-10-7-17(8-11-19)31-25(32)22-23(27)28-15-29-24(22)30-18-9-12-21(20(26)13-18)
34-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,31,32)(H3,27,28,29,30) |
| InChIKey | QGRYIZRZEGPOEO-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 |
25271518
|
| Drug Bank Link | - |
| ChemSpider Link | 23331482 |
| ChEMBL Link | CHEMBL472383 |
