| General Property |
| Molceule ID (DB) | EGIN0002502 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | R-23 compound |
| IUPAC Name | (2E)-4-(dimethylamino)-1-(3-{[(1R)-2-hydroxy-1-phenylethyl]amino}-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-11-yl)but-2-en-1-one |
| Formula | C23H27N5O2S |
| Mass | 437.558 |
| Exact Mass | 437.1885458 |
| Composition | C (63.13%), H (6.22%), N (16.01%), O (7.31%), S (7.33%) |
| Atom Count | 58 |
| PI | 11.87 |
| Smiles | n1cnc(N[C@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)/C=C/CN(C)C |
| InChI | 1S/C23H27N5O2S/c1-27(2)11-6-9-20(30)28-12-10-17-19(13-28)31-23-21(17)22(24-15-25-23)26-18(14-29)16-7
-4-3-5-8-16/h3-9,15,18,29H,10-14H2,1-2H3,(H,24,25,26)/b9-6+/t18-/m0/s1 |
| InChIKey | WTHITBDGABQSRK-YOCVDRLZSA-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 | 20961149 |
| 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 |
49788430
|
| Drug Bank Link | - |
| ChemSpider Link | 26363545 |
| ChEMBL Link | CHEMBL1271508 |
