| General Property |
| Molceule ID (DB) | EGIN0001297 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8g compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}-N,N-diethylpyrimidine-5-carboxamide |
| Formula | C22H24ClN5O2 |
| Mass | 425.911 |
| Exact Mass | 425.1618527 |
| Composition | C (62.04%), H (5.68%), Cl (8.32%), N (16.44%), O (7.51%) |
| Atom Count | 54 |
| PI | 9.86 |
| Smiles | c1(ncnc(c1C(=O)N(CC)CC)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C22H24ClN5O2/c1-3-28(4-2)22(29)19-20(24)25-14-26-21(19)27-16-10-11-18(17(23)12-16)30-13-15-8-6-5-
7-9-15/h5-12,14H,3-4,13H2,1-2H3,(H3,24,25,26,27) |
| InChIKey | VGJXHWMSDLZKOL-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 |
25271181
|
| Drug Bank Link | - |
| ChemSpider Link | 23331435 |
| ChEMBL Link | CHEMBL452727 |
