| General Property |
| Molceule ID (DB) | EGIN0001298 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8h compound |
| IUPAC Name | 1-(4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}pyrimidin-5-yl)-2-(3-fluorophenyl)ethan-1-one |
| Formula | C25H20ClFN4O2 |
| Mass | 462.903 |
| Exact Mass | 462.1258818 |
| Composition | C (64.87%), H (4.35%), Cl (7.66%), F (4.1%), N (12.1%), O (6.91%) |
| Atom Count | 53 |
| PI | 8.59 |
| Smiles | c1(ncnc(c1C(=O)Cc1cccc(c1)F)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C25H20ClFN4O2/c26-20-13-19(9-10-22(20)33-14-16-5-2-1-3-6-16)31-25-23(24(28)29-15-30-25)21(32)12-1
7-7-4-8-18(27)11-17/h1-11,13,15H,12,14H2,(H3,28,29,30,31) |
| InChIKey | XGWGXCVQHYMVRM-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL472382 |
