| General Property |
| Molceule ID (DB) | EGIN0002500 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-21 compound |
| IUPAC Name | (2E)-1-(3-{[(1S)-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)-4-(morpholin-4-yl)but-2-en-1-one |
| Formula | C25H29N5O3S |
| Mass | 479.594 |
| Exact Mass | 479.1991105 |
| Composition | C (62.61%), H (6.09%), N (14.6%), O (10.01%), S (6.69%) |
| Atom Count | 63 |
| PI | 10.59 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)/C=C/CN1CCOCC1 |
| InChI | 1S/C25H29N5O3S/c31-16-20(18-5-2-1-3-6-18)28-24-23-19-8-10-30(15-21(19)34-25(23)27-17-26-24)22(32)7-4
-9-29-11-13-33-14-12-29/h1-7,17,20,31H,8-16H2,(H,26,27,28)/b7-4+/t20-/m1/s1 |
| InChIKey | LUAINCIBXGXTCS-WWPOYFSUSA-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 |
49788428
|
| Drug Bank Link | - |
| ChemSpider Link | 26362221 |
| ChEMBL Link | CHEMBL1272325 |
