| General Property |
| Molceule ID (DB) | EGIN0002501 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-22 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-(4-methylpiperazin-1-yl)but-2-en-1-one |
| Formula | C26H32N6O2S |
| Mass | 492.636 |
| Exact Mass | 492.230745 |
| Composition | C (63.39%), H (6.55%), N (17.06%), O (6.5%), S (6.51%) |
| Atom Count | 67 |
| PI | 11.61 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)/C=C/CN1CCN(CC1)C |
| InChI | 1S/C26H32N6O2S/c1-30-12-14-31(15-13-30)10-5-8-23(34)32-11-9-20-22(16-32)35-26-24(20)25(27-18-28-26)2
9-21(17-33)19-6-3-2-4-7-19/h2-8,18,21,33H,9-17H2,1H3,(H,27,28,29)/b8-5+/t21-/m1/s1 |
| InChIKey | IUBKYBMKRBNWRR-WKOQKXSESA-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 |
49788429
|
| Drug Bank Link | - |
| ChemSpider Link | 26364422 |
| ChEMBL Link | CHEMBL1271507 |
