| General Property |
| Molceule ID (DB) | EGIN0002497 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-18 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)-3-phenylprop-2-en-1-one |
| Formula | C26H24N4O2S |
| Mass | 456.559 |
| Exact Mass | 456.1619967 |
| Composition | C (68.4%), H (5.3%), N (12.27%), O (7.01%), S (7.02%) |
| Atom Count | 57 |
| PI | 9.1 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)/C=C/c1ccccc1 |
| InChI | 1S/C26H24N4O2S/c31-16-21(19-9-5-2-6-10-19)29-25-24-20-13-14-30(15-22(20)33-26(24)28-17-27-25)23(32)1
2-11-18-7-3-1-4-8-18/h1-12,17,21,31H,13-16H2,(H,27,28,29)/b12-11+/t21-/m1/s1 |
| InChIKey | BZNVJBJWWCQQET-RJRNSMGGSA-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 |
49788426
|
| Drug Bank Link | - |
| ChemSpider Link | 26362083 |
| ChEMBL Link | CHEMBL1272275 |
