General Property |
Molceule ID (DB) | EGIN0000055 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2h compound |
IUPAC Name | N-(4-chlorophenyl)-13-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C20H17ClN2O2 |
Mass | 352.814 |
Exact Mass | 352.0978555 |
Composition | C (68.09%), H (4.86%), Cl (10.05%), N (7.94%), O (9.07%) |
Atom Count | 42 |
PI | 7.97 |
Smiles | c12c(cccc1Nc1ccc(cc1)Cl)Oc1c(CN2)cc(cc1)OC |
InChI | 1S/C20H17ClN2O2/c1-24-16-9-10-18-13(11-16)12-22-20-17(3-2-4-19(20)25-18)23-15-7-5-14(21)6-8-15/h2-11
,22-23H,12H2,1H3 |
InChIKey | LDXJUOXZAUIXLT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000055.png) | Structure Backbone | ![](./frame/f_EGIN0000055.png) |
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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 | 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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL205454 |