| General Property |
| Molceule ID (DB) | EGIN0000347 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3m compound |
| IUPAC Name | 13,14-dimethoxy-5-methyl-N-(naphthalen-2-yl)-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C24H22N4O2S |
| Mass | 430.522 |
| Exact Mass | 430.1463467 |
| Composition | C (66.96%), H (5.15%), N (13.01%), O (7.43%), S (7.45%) |
| Atom Count | 53 |
| PI | 8.96 |
| Smiles | c12c(nc(nc1Nc1ccc3c(c1)cccc3)C)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C24H22N4O2S/c1-14-26-23(28-18-9-8-15-6-4-5-7-16(15)10-18)22-24(27-14)31-21-12-20(30-3)19(29-2)11-
17(21)13-25-22/h4-12,25H,13H2,1-3H3,(H,26,27,28) |
| InChIKey | BCGFTRRISHWOOB-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 | 23276024 |
| ChEMBL Link | CHEMBL214863 |
