General Property |
Molceule ID (DB) | EGIN0000062 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2o compound |
IUPAC Name | 13-chloro-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 | C19H13Cl2FN2O |
Mass | 375.224 |
Exact Mass | 374.0388967 |
Composition | C (60.82%), H (3.49%), Cl (18.9%), F (5.06%), N (7.47%), O (4.26%) |
Atom Count | 38 |
PI | 7.91 |
Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)Cl |
InChI | 1S/C19H13Cl2FN2O/c20-12-4-7-17-11(8-12)10-23-19-16(2-1-3-18(19)25-17)24-13-5-6-15(22)14(21)9-13/h1-9
,23-24H,10H2 |
InChIKey | FFSIVGFTJCWKGX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000062.png) | Structure Backbone | ![](./frame/f_EGIN0000062.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 | CHEMBL205676 |