General Property |
Molceule ID (DB) | EGIN0000073 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2z compound |
IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-7,13-diamine |
Formula | C19H15ClFN3O |
Mass | 355.793 |
Exact Mass | 355.088768 |
Composition | C (64.14%), H (4.25%), Cl (9.96%), F (5.34%), N (11.81%), O (4.5%) |
Atom Count | 40 |
PI | 8.94 |
Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)N |
InChI | 1S/C19H15ClFN3O/c20-14-9-13(5-6-15(14)21)24-16-2-1-3-18-19(16)23-10-11-8-12(22)4-7-17(11)25-18/h1-9,
23-24H,10,22H2 |
InChIKey | DPGDZDNKEVTJQJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000073.png) | Structure Backbone | ![](./frame/f_EGIN0000073.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 | - |