| General Property |
| Molceule ID (DB) | EGIN0004735 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-(3-{4-[(dimethylamino)methyl]phenyl}prop-1-yn-1-yl)-6-methylpyrimidin-4-amine |
| Formula | C30H28ClFN4O |
| Mass | 515.021 |
| Exact Mass | 514.1935675 |
| Composition | C (69.96%), H (5.48%), Cl (6.88%), F (3.69%), N (10.88%), O (3.11%) |
| Atom Count | 65 |
| PI | 12.25 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1ccc(cc1)CN(C)C |
| InChI | 1S/C30H28ClFN4O/c1-21-27(9-5-6-22-10-12-23(13-11-22)18-36(2)3)30(34-20-33-21)35-26-14-15-29(28(31)17
-26)37-19-24-7-4-8-25(32)16-24/h4,7-8,10-17,20H,6,18-19H2,1-3H3,(H,33,34,35) |
| InChIKey | RLYKQYZKODMOBE-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 | 22101132 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
