| General Property |
| Molceule ID (DB) | EGIN0001303 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 4-N-[4-(benzyloxy)-3-chlorophenyl]-5-{5-[2-(morpholin-4-yl)ethyl]-1,3,4-oxadiazol-2-yl}pyrimidine-4,6-diamine |
| Formula | C25H26ClN7O3 |
| Mass | 507.972 |
| Exact Mass | 507.1785654 |
| Composition | C (59.11%), H (5.16%), Cl (6.98%), N (19.3%), O (9.45%) |
| Atom Count | 62 |
| PI | 10.61 |
| Smiles | c1(ncnc(c1c1oc(nn1)CCN1CCOCC1)N)Nc1cc(c(cc1)OCc1ccccc1)Cl |
| InChI | 1S/C25H26ClN7O3/c26-19-14-18(6-7-20(19)35-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25-32-31-21(
36-25)8-9-33-10-12-34-13-11-33/h1-7,14,16H,8-13,15H2,(H3,27,28,29,30) |
| InChIKey | ASRPLHQXFWEEDQ-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 |
25063262
|
| Drug Bank Link | - |
| ChemSpider Link | 23331534 |
| ChEMBL Link | CHEMBL472545 |
