| General Property |
| Molceule ID (DB) | EGIN0000785 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8j compound |
| IUPAC Name | N-(3-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}phenyl)-3-methanesulfonylpropanamide |
| Formula | C29H24ClFN4O4S |
| Mass | 579.042 |
| Exact Mass | 578.1190819 |
| Composition | C (60.15%), H (4.18%), Cl (6.12%), F (3.28%), N (9.68%), O (11.05%), S (5.54%) |
| Atom Count | 64 |
| PI | 8.24 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(c1)NC(=O)CCS(=O)(=O)C |
| InChI | 1S/C29H24ClFN4O4S/c1-40(37,38)13-12-28(36)34-24-7-3-4-20(15-24)8-9-22-17-32-19-33-29(22)35-25-10-11-
27(26(30)16-25)39-18-21-5-2-6-23(31)14-21/h2-7,10-11,14-17,19H,12-13,18H2,1H3,(H,34,36)(H,32,33,35) |
| InChIKey | UZGXHZBWNFJHQD-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 | 23269752 |
| ChEMBL Link | CHEMBL381080 |
