| General Property |
| Molceule ID (DB) | EGIN0000349 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3o compound |
| IUPAC Name | N-(1,3-benzothiazol-6-yl)-13,14-dimethoxy-5-methyl-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C21H19N5O2S2 |
| Mass | 437.538 |
| Exact Mass | 437.0980163 |
| Composition | C (57.65%), H (4.38%), N (16.01%), O (7.31%), S (14.66%) |
| Atom Count | 49 |
| PI | 8.97 |
| Smiles | c12c(nc(nc1Nc1ccc3c(c1)scn3)C)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C21H19N5O2S2/c1-11-24-20(26-13-4-5-14-18(7-13)29-10-23-14)19-21(25-11)30-17-8-16(28-3)15(27-2)6-1
2(17)9-22-19/h4-8,10,22H,9H2,1-3H3,(H,24,25,26) |
| InChIKey | UCVXDRJGLPEHFY-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 | 23275881 |
| ChEMBL Link | CHEMBL214627 |
