| General Property |
| Molceule ID (DB) | EGIN0000341 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | N-(3-chlorophenyl)-13,14-dimethoxy-N-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 | C20H19ClN4O2S |
| Mass | 414.908 |
| Exact Mass | 414.0917243 |
| Composition | C (57.9%), H (4.62%), Cl (8.54%), N (13.5%), O (7.71%), S (7.73%) |
| Atom Count | 47 |
| PI | 8.45 |
| Smiles | c12c(ncnc1N(c1cc(ccc1)Cl)C)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C20H19ClN4O2S/c1-25(14-6-4-5-13(21)8-14)19-18-20(24-11-23-19)28-17-9-16(27-3)15(26-2)7-12(17)10-2
2-18/h4-9,11,22H,10H2,1-3H3 |
| InChIKey | KQJJBBBVLYOXTC-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 |
11575228
|
| Drug Bank Link | - |
| ChemSpider Link | 9749998 |
| ChEMBL Link | CHEMBL425074 |
