General Property |
Molceule ID (DB) | EGIN0000079 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2af compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C19H14ClFN2O |
Mass | 340.779 |
Exact Mass | 340.077869 |
Composition | C (66.97%), H (4.14%), Cl (10.4%), F (5.57%), N (8.22%), O (4.69%) |
Atom Count | 38 |
PI | 8.05 |
Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cccc1 |
InChI | 1S/C19H14ClFN2O/c20-14-10-13(8-9-15(14)21)23-16-5-3-7-18-19(16)22-11-12-4-1-2-6-17(12)24-18/h1-10,22
-23H,11H2 |
InChIKey | YGIVVLLWABZGJL-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 | 16412636 |
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 | - |
ChEMBL Link | CHEMBL425402 |