| General Property |
| Molceule ID (DB) | EGIN0000348 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3n compound |
| IUPAC Name | N-(1H-1,3-benzodiazol-5-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 | C21H20N6O2S |
| Mass | 420.488 |
| Exact Mass | 420.1368446 |
| Composition | C (59.98%), H (4.79%), N (19.99%), O (7.61%), S (7.63%) |
| Atom Count | 50 |
| PI | 9.75 |
| Smiles | c12c(nc(nc1Nc1cc3c(cc1)[nH]cn3)C)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C21H20N6O2S/c1-11-25-20(27-13-4-5-14-15(7-13)24-10-23-14)19-21(26-11)30-18-8-17(29-3)16(28-2)6-12
(18)9-22-19/h4-8,10,22H,9H2,1-3H3,(H,23,24)(H,25,26,27) |
| InChIKey | ZWKSBUXOACHISC-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 23276072 |
| ChEMBL Link | CHEMBL213616 |
