| General Property |
| Molceule ID (DB) | EGIN0000339 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3e compound |
| IUPAC Name | N-(1,3-benzothiazol-6-yl)-13,14-dimethoxy-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H17N5O2S2 |
| Mass | 423.511 |
| Exact Mass | 423.0823662 |
| Composition | C (56.72%), H (4.05%), N (16.54%), O (7.56%), S (15.14%) |
| Atom Count | 46 |
| PI | 8.51 |
| Smiles | c12c(ncnc1Nc1ccc3c(c1)scn3)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C20H17N5O2S2/c1-26-14-5-11-8-21-18-19(25-12-3-4-13-17(6-12)28-10-24-13)22-9-23-20(18)29-16(11)7-1
5(14)27-2/h3-7,9-10,21H,8H2,1-2H3,(H,22,23,25) |
| InChIKey | HCOGTSYUASNTGX-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23275739 |
| ChEMBL Link | CHEMBL211982 |
