| General Property |
| Molceule ID (DB) | EGIN0000786 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8k compound |
| IUPAC Name | methyl 4-[(3-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}phenyl)carbamoyl]butanoate |
| Formula | C31H26ClFN4O4 |
| Mass | 573.014 |
| Exact Mass | 572.1626613 |
| Composition | C (64.98%), H (4.57%), Cl (6.19%), F (3.32%), N (9.78%), O (11.17%) |
| Atom Count | 67 |
| PI | 8.27 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(c1)NC(=O)CCCC(=O)OC |
| InChI | 1S/C31H26ClFN4O4/c1-40-30(39)10-4-9-29(38)36-25-8-3-5-21(16-25)11-12-23-18-34-20-35-31(23)37-26-13-1
4-28(27(32)17-26)41-19-22-6-2-7-24(33)15-22/h2-3,5-8,13-18,20H,4,9-10,19H2,1H3,(H,36,38)(H,34,35,37) |
| InChIKey | SMSOSQRBSNFBDH-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 | 16483772 |
| 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 | 23269758 |
| ChEMBL Link | CHEMBL206782 |
