| General Property |
| Molceule ID (DB) | EGIN0001584 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 6e 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 N,N-diethylcarbamate |
| Formula | C30H29ClFN5O3S |
| Mass | 594.099 |
| Exact Mass | 593.1663664 |
| Composition | C (60.65%), H (4.92%), Cl (5.97%), F (3.2%), N (11.79%), O (8.08%), S (5.4%) |
| Atom Count | 70 |
| PI | 11.48 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N(CC)CC |
| InChI | 1S/C30H29ClFN5O3S/c1-3-37(4-2)30(38)40-23-13-21(33-16-23)8-10-24-15-26-28(41-24)29(35-18-34-26)36-22
-9-11-27(25(31)14-22)39-17-19-6-5-7-20(32)12-19/h5-7,9,11-12,14-15,18,21,23,33H,3-4,13,16-17H2,1-2H3
,(H,34,35,36)/t21-,23-/m1/s1 |
| InChIKey | GWKMIVYJIGCSBU-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 | 19028424 |
| 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 |
11490270
|
| Drug Bank Link | - |
| ChemSpider Link | 9665082 |
| ChEMBL Link | CHEMBL505626 |
