| General Property |
| Molceule ID (DB) | EGIN0002317 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6u compound |
| IUPAC Name | 7-N-(3-ethynylphenyl)-2-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C24H22N6OS |
| Mass | 442.536 |
| Exact Mass | 442.15758 |
| Composition | C (65.14%), H (5.01%), N (18.99%), O (3.62%), S (7.25%) |
| Atom Count | 54 |
| PI | 9.65 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(ccc1)C#C)Nc1ccc(cc1)CN1CCOCC1 |
| InChI | 1S/C24H22N6OS/c1-2-17-4-3-5-20(14-17)27-22-21-23(26-16-25-22)29-24(32-21)28-19-8-6-18(7-9-19)15-30-1
0-12-31-13-11-30/h1,3-9,14,16H,10-13,15H2,(H2,25,26,27,28,29) |
| InChIKey | VLZLKHGQUWVLCJ-UHFFFAOYSA-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 | 19286381 |
| 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 |
16037184
|
| Drug Bank Link | - |
| ChemSpider Link | 13165776 |
| ChEMBL Link | CHEMBL470391 |
