| General Property |
| Molceule ID (DB) | EGIN0004688 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[(1E)-3-(4-{[(2-methanesulfonylethyl)amino]methyl}phenyl)prop-1-en-1-yl]-6-methylpyrimidin-4-amine |
| Formula | C31H32ClFN4O3S |
| Mass | 595.127 |
| Exact Mass | 594.1867675 |
| Composition | C (62.56%), H (5.42%), Cl (5.96%), F (3.19%), N (9.41%), O (8.07%), S (5.39%) |
| Atom Count | 73 |
| PI | 12.1 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)/C=C/Cc1ccc(cc1)CNCCS(=O)(=O)C |
| InChI | 1S/C31H32ClFN4O3S/c1-22-28(8-4-5-23-9-11-24(12-10-23)19-34-15-16-41(2,38)39)31(36-21-35-22)37-27-13-
14-30(29(32)18-27)40-20-25-6-3-7-26(33)17-25/h3-4,6-14,17-18,21,34H,5,15-16,19-20H2,1-2H3,(H,35,36,3
7)/b8-4+ |
| InChIKey | FZDFTNHQTYOYSC-XBXARRHUSA-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 | - |
