| General Property |
| Molceule ID (DB) | EGIN0001291 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8a compound |
| IUPAC Name | 2-(morpholin-4-yl)ethyl 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}pyrimidine-5-carboxylate |
| Formula | C24H26ClN5O4 |
| Mass | 483.947 |
| Exact Mass | 483.1673321 |
| Composition | C (59.56%), H (5.42%), Cl (7.33%), N (14.47%), O (13.22%) |
| Atom Count | 60 |
| PI | 9.92 |
| Smiles | c1(ncnc(c1C(=O)OCCN1CCOCC1)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C24H26ClN5O4/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)29-23-21(22(26)27-16-28-23)24(31)33-13-
10-30-8-11-32-12-9-30/h1-7,14,16H,8-13,15H2,(H3,26,27,28,29) |
| InChIKey | KTEDMAIKTUKLAP-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 | VEGF-R2 | Aurora-A | CDK1 | ALL |
| Pub Chem Link |
25271179
|
| Drug Bank Link | - |
| ChemSpider Link | 23331384 |
| ChEMBL Link | CHEMBL461113 |
