| General Property |
| Molceule ID (DB) | EGIN0004749 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[3-(4-{[(propan-2-yl)amino]methyl}phenyl)prop-1-yn-1-yl]pyrimidin-4-amine |
| Formula | C31H30ClFN4O |
| Mass | 529.048 |
| Exact Mass | 528.2092175 |
| Composition | C (70.38%), H (5.72%), Cl (6.7%), F (3.59%), N (10.59%), O (3.02%) |
| Atom Count | 68 |
| PI | 12.69 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1ccc(cc1)CNC(C)C |
| InChI | 1S/C31H30ClFN4O/c1-21(2)34-18-24-12-10-23(11-13-24)6-5-9-28-22(3)35-20-36-31(28)37-27-14-15-30(29(32
)17-27)38-19-25-7-4-8-26(33)16-25/h4,7-8,10-17,20-21,34H,6,18-19H2,1-3H3,(H,35,36,37) |
| InChIKey | IPRNWXJOZJQQTH-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 | - |
