| General Property |
| Molceule ID (DB) | EGIN0001416 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15p compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({1-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indazol-5-yl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C32H30FN7O3S |
| Mass | 611.689 |
| Exact Mass | 611.2114868 |
| Composition | C (62.83%), H (4.94%), F (3.11%), N (16.03%), O (7.85%), S (5.24%) |
| Atom Count | 74 |
| PI | 11.15 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)cnn3[C@@H](c1cccc(c1)F)C)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C32H30FN7O3S/c1-20(21-3-2-4-23(33)13-21)40-29-8-6-25(14-22(29)17-37-40)38-31-30-28(35-19-36-31)16
-27(44-30)7-5-24-15-26(18-34-24)43-32(41)39-9-11-42-12-10-39/h2-4,6,8,13-14,16-17,19-20,24,26,34H,9-
12,15,18H2,1H3,(H,35,36,38)/t20-,24-,26-/m1/s1 |
| InChIKey | OMNUQQMMTVDCHE-OLLUBJOZSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23335700 |
| ChEMBL Link | CHEMBL503253 |
