| General Property |
| Molceule ID (DB) | EGIN0000336 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-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 | C19H16ClFN4O2S |
| Mass | 418.872 |
| Exact Mass | 418.0666524 |
| Composition | C (54.48%), H (3.85%), Cl (8.46%), F (4.54%), N (13.38%), O (7.64%), S (7.66%) |
| Atom Count | 44 |
| PI | 8.49 |
| Smiles | c12c(ncnc1Nc1cc(c(cc1)F)Cl)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C19H16ClFN4O2S/c1-26-14-5-10-8-22-17-18(25-11-3-4-13(21)12(20)6-11)23-9-24-19(17)28-16(10)7-15(14
)27-2/h3-7,9,22H,8H2,1-2H3,(H,23,24,25) |
| InChIKey | NAMKSNOXLTXFEG-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23275921 |
| ChEMBL Link | CHEMBL215365 |
