| General Property |
| Molceule ID (DB) | EGIN0001295 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8e compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide |
| Formula | C27H26ClN5O3 |
| Mass | 503.98 |
| Exact Mass | 503.1724174 |
| Composition | C (64.35%), H (5.2%), Cl (7.03%), N (13.9%), O (9.52%) |
| Atom Count | 62 |
| PI | 9.26 |
| Smiles | c1(ncnc(c1C(=O)NCCc1ccc(cc1)OC)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C27H26ClN5O3/c1-35-21-10-7-18(8-11-21)13-14-30-27(34)24-25(29)31-17-32-26(24)33-20-9-12-23(22(28)
15-20)36-16-19-5-3-2-4-6-19/h2-12,15,17H,13-14,16H2,1H3,(H,30,34)(H3,29,31,32,33) |
| InChIKey | RURBVASLDVOVQE-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 |
25271516
|
| Drug Bank Link | - |
| ChemSpider Link | 23331433 |
| ChEMBL Link | CHEMBL461115 |
