| General Property |
| Molceule ID (DB) | EGIN0001417 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15q compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({1-[(3-fluorobenzene)sulfonyl]-1H-indazol-5-yl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C30H26FN7O5S2 |
| Mass | 647.7 |
| Exact Mass | 647.1420866 |
| Composition | C (55.63%), H (4.05%), F (2.93%), N (15.14%), O (12.35%), S (9.9%) |
| Atom Count | 71 |
| PI | 11.14 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)cnn3S(=O)(=O)c1cc(ccc1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C30H26FN7O5S2/c31-20-2-1-3-25(13-20)45(40,41)38-27-7-5-22(12-19(27)16-35-38)36-29-28-26(33-18-34-
29)15-24(44-28)6-4-21-14-23(17-32-21)43-30(39)37-8-10-42-11-9-37/h1-3,5,7,12-13,15-16,18,21,23,32H,8
-11,14,17H2,(H,33,34,36)/t21-,23-/m1/s1 |
| InChIKey | DNGKMKTZKCGWMO-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 | 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 | 23335701 |
| ChEMBL Link | CHEMBL451074 |
