| General Property |
| Molceule ID (DB) | EGIN0004768 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-(3-phenylprop-1-yn-1-yl)pyrimidin-4-amine |
| Formula | C27H21ClFN3O |
| Mass | 457.927 |
| Exact Mass | 457.1357182 |
| Composition | C (70.82%), H (4.62%), Cl (7.74%), F (4.15%), N (9.18%), O (3.49%) |
| Atom Count | 54 |
| PI | 10.03 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1ccccc1 |
| InChI | 1S/C27H21ClFN3O/c1-19-24(12-6-9-20-7-3-2-4-8-20)27(31-18-30-19)32-23-13-14-26(25(28)16-23)33-17-21-1
0-5-11-22(29)15-21/h2-5,7-8,10-11,13-16,18H,9,17H2,1H3,(H,30,31,32) |
| InChIKey | LCFFZQKIVCZIPH-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 | 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 | - |
