| General Property |
| Molceule ID (DB) | EGIN0001293 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8c compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}-N-[2-(piperidin-1-yl)ethyl]pyrimidine-5-carboxamide |
| Formula | C25H29ClN6O2 |
| Mass | 480.99 |
| Exact Mass | 480.2040519 |
| Composition | C (62.43%), H (6.08%), Cl (7.37%), N (17.47%), O (6.65%) |
| Atom Count | 63 |
| PI | 10.67 |
| Smiles | c1(ncnc(c1C(=O)NCCN1CCCCC1)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C25H29ClN6O2/c26-20-15-19(9-10-21(20)34-16-18-7-3-1-4-8-18)31-24-22(23(27)29-17-30-24)25(33)28-11
-14-32-12-5-2-6-13-32/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2,(H,28,33)(H3,27,29,30,31) |
| InChIKey | BQGLDSZPKUBDDR-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 |
25271514
|
| Drug Bank Link | - |
| ChemSpider Link | 23331386 |
| ChEMBL Link | CHEMBL462343 |
