| General Property |
| Molceule ID (DB) | EGIN0004692 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[4-(4-{[(propan-2-yl)amino]methyl}phenoxy)but-1-yn-1-yl]pyrimidin-4-amine |
| Formula | C32H32ClFN4O2 |
| Mass | 559.073 |
| Exact Mass | 558.2197822 |
| Composition | C (68.75%), H (5.77%), Cl (6.34%), F (3.4%), N (10.02%), O (5.72%) |
| Atom Count | 72 |
| PI | 12.66 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCCOc1ccc(cc1)CNC(C)C |
| InChI | 1S/C32H32ClFN4O2/c1-22(2)35-19-24-10-13-28(14-11-24)39-16-5-4-9-29-23(3)36-21-37-32(29)38-27-12-15-3
1(30(33)18-27)40-20-25-7-6-8-26(34)17-25/h6-8,10-15,17-18,21-22,35H,5,16,19-20H2,1-3H3,(H,36,37,38) |
| InChIKey | IUZCBCLAYKIRQR-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 | - |
