| General Property |
| Molceule ID (DB) | EGIN0004711 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-{3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]prop-1-yn-1-yl}pyrimidin-4-amine |
| Formula | C30H28ClFN4OS |
| Mass | 547.086 |
| Exact Mass | 546.1656381 |
| Composition | C (65.86%), H (5.16%), Cl (6.48%), F (3.47%), N (10.24%), O (2.92%), S (5.86%) |
| Atom Count | 66 |
| PI | 12.31 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1sc(cc1)CN1CCCC1 |
| InChI | 1S/C30H28ClFN4OS/c1-21-27(9-5-8-25-11-12-26(38-25)18-36-14-2-3-15-36)30(34-20-33-21)35-24-10-13-29(2
8(31)17-24)37-19-22-6-4-7-23(32)16-22/h4,6-7,10-13,16-17,20H,2-3,8,14-15,18-19H2,1H3,(H,33,34,35) |
| InChIKey | LRUIXMSSEBMRIT-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
