| General Property |
| Molceule ID (DB) | EGIN0001407 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15g compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)oxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C27H25ClN6O5S |
| Mass | 581.043 |
| Exact Mass | 580.1295663 |
| Composition | C (55.81%), H (4.34%), Cl (6.1%), N (14.46%), O (13.77%), S (5.52%) |
| Atom Count | 65 |
| PI | 11.33 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)Oc1cc(on1)C)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C27H25ClN6O5S/c1-16-10-24(33-39-16)38-23-5-3-18(12-21(23)28)32-26-25-22(30-15-31-26)13-20(40-25)4
-2-17-11-19(14-29-17)37-27(35)34-6-8-36-9-7-34/h3,5,10,12-13,15,17,19,29H,6-9,11,14H2,1H3,(H,30,31,3
2)/t17-,19-/m1/s1 |
| InChIKey | SBYLTLVZZWSDEP-IEBWSBKVSA-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 | 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 |
25263251
|
| Drug Bank Link | - |
| ChemSpider Link | 23335634 |
| ChEMBL Link | CHEMBL461811 |
