| General Property |
| Molceule ID (DB) | EGIN0001401 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15i compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C30H27ClFN5O4S |
| Mass | 608.083 |
| Exact Mass | 607.145631 |
| Composition | C (59.26%), H (4.48%), Cl (5.83%), F (3.12%), N (11.52%), O (10.52%), S (5.27%) |
| Atom Count | 69 |
| PI | 11.48 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C30H27ClFN5O4S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)36-29-28-26(34-18-35-29)15-24(42
-28)6-4-21-13-23(16-33-21)41-30(38)37-8-10-39-11-9-37/h1-3,5,7,12,14-15,18,21,23,33H,8-11,13,16-17H2
,(H,34,35,36)/t21-,23-/m1/s1 |
| InChIKey | NKOJMDRKLJSOJR-FYYLOGMGSA-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 | 18842405 | 19028424 | 19208477 | |
| 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 |
11284937
|
| Drug Bank Link | - |
| ChemSpider Link | 9459930 |
| ChEMBL Link | CHEMBL507329 |
