| General Property |
| Molceule ID (DB) | EGIN0001300 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8j compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}pyrimidine-5-carbonitrile |
| Formula | C18H14ClN5O |
| Mass | 351.79 |
| Exact Mass | 351.0886878 |
| Composition | C (61.46%), H (4.01%), Cl (10.08%), N (19.91%), O (4.55%) |
| Atom Count | 39 |
| PI | 8.76 |
| Smiles | c1(ncnc(c1C#N)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C18H14ClN5O/c19-15-8-13(24-18-14(9-20)17(21)22-11-23-18)6-7-16(15)25-10-12-4-2-1-3-5-12/h1-8,11H,
10H2,(H3,21,22,23,24) |
| InChIKey | DNJLGPOTNUZJMO-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 | VEGF-R2 | CDK1 | ALL |
| Pub Chem Link |
17747535
|
| Drug Bank Link | - |
| ChemSpider Link | 23331483 |
| ChEMBL Link | CHEMBL500591 |
