| General Property |
| Molceule ID (DB) | EGIN0000355 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3u compound |
| IUPAC Name | 7-[(3-chlorophenyl)sulfanyl]-13,14-dimethoxy-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene |
| Formula | C19H16ClN3O2S2 |
| Mass | 417.932 |
| Exact Mass | 417.0372459 |
| Composition | C (54.6%), H (3.86%), Cl (8.48%), N (10.05%), O (7.66%), S (15.34%) |
| Atom Count | 43 |
| PI | 7.07 |
| Smiles | c12c(ncnc1Sc1cc(ccc1)Cl)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C19H16ClN3O2S2/c1-24-14-6-11-9-21-17-18(26-13-5-3-4-12(20)7-13)22-10-23-19(17)27-16(11)8-15(14)25
-2/h3-8,10,21H,9H2,1-2H3 |
| InChIKey | DEKIBPPKPXYNSY-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 | 16887347 |
| 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 |
11668874
|
| Drug Bank Link | - |
| ChemSpider Link | 9843606 |
| ChEMBL Link | CHEMBL384205 |
