| General Property |
| Molceule ID (DB) | EGIN0001292 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8b compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}-N-phenylpyrimidine-5-carboxamide |
| Formula | C24H20ClN5O2 |
| Mass | 445.901 |
| Exact Mass | 445.1305526 |
| Composition | C (64.65%), H (4.52%), Cl (7.95%), N (15.71%), O (7.18%) |
| Atom Count | 52 |
| PI | 8.23 |
| Smiles | c1(ncnc(c1C(=O)Nc1ccccc1)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C24H20ClN5O2/c25-19-13-18(11-12-20(19)32-14-16-7-3-1-4-8-16)29-23-21(22(26)27-15-28-23)24(31)30-1
7-9-5-2-6-10-17/h1-13,15H,14H2,(H,30,31)(H3,26,27,28,29) |
| InChIKey | CYQGGEIFCSVNDW-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 |
25271517
|
| Drug Bank Link | - |
| ChemSpider Link | 23331385 |
| ChEMBL Link | CHEMBL461114 |
