| General Property |
| Molceule ID (DB) | EGIN0000802 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 32 compound |
| IUPAC Name | 1-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one |
| Formula | C26H21N3O2S |
| Mass | 439.529 |
| Exact Mass | 439.1354476 |
| Composition | C (71.05%), H (4.82%), N (9.56%), O (7.28%), S (7.3%) |
| Atom Count | 53 |
| PI | 6.72 |
| Smiles | C1c2c(N(c3c(C1)cccc3)C(=O)CSc1nc(cc(n1)c1ccccc1)O)cccc2 |
| InChI | 1S/C26H21N3O2S/c30-24-16-21(18-8-2-1-3-9-18)27-26(28-24)32-17-25(31)29-22-12-6-4-10-19(22)14-15-20-1
1-5-7-13-23(20)29/h1-13,16H,14-15,17H2,(H,27,28,30) |
| InChIKey | LJAWYAFGKHANCU-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 | 16413185 |
| 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 |
1324363
|
| Drug Bank Link | - |
| ChemSpider Link | 1109930 |
| ChEMBL Link | CHEMBL378824 |
